Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T17758 | Target Info | |||
| Target Name | Urokinase-type plasminogen activator (PLAU) | ||||
| Synonyms | UPA; U-plasminogen activator | ||||
| Target Type | Successful Target | ||||
| Gene Name | PLAU | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Tranexamic acid | Ligand Info | |||||
| Structure Description | Tranexamic Acid is an Active Site Inhibitor of Urokinase Plasminogen Activator | PDB:6NMB | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [1] |
| PDB Sequence |
FQCGQIIGGE
20 FTTIENQPWF30 AAIYRRHRGG37C SVTYVCGGSL46 ISPCWVISAT56 HCFIDYPKKE 62A DYIVYLGRSR72 LNSNTQGEMK82 FEVENLILHK92 DYSADTLAHH100 NDIALLKIRS 110 KEGRCAQPSR116 TIQTICLPSM126 YNDPQFGTSC136 EITGFGKENS146 TDYLYPEQLK 156 MTVVKLISHR166 ECQQPHYYGS174 EVTTKMLCAA184 DPQWKTDSCQ192 GDSGGPLVCS 202 LQGRMTLTGI212 VSWGRGCALK222 DKPGVYTRVS232 HFLPWIRSHT242 K |
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| Ligand Name: L-alanine | Ligand Info | |||||
| Structure Description | Crystal structure of uPA in complex with upain-2-3-W3A | PDB:5WXP | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [2] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
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| Ligand Name: Amiloride | Ligand Info | |||||
| Structure Description | UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN-AMILORIDE COMPLEX | PDB:1F5L | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [3] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AMR or .AMR2 or .AMR3 or :3AMR;style chemicals stick;color identity;select .A:189 or .A:190 or .A:191 or .A:192 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:219 or .A:220 or .A:221 or .A:224 or .A:225 or .A:226 or .A:227 or .A:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Quercetin | Ligand Info | |||||
| Structure Description | Crystal structure of uPA in complex with quercetin | PDB:5XG4 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [4] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QUE or .QUE2 or .QUE3 or :3QUE;style chemicals stick;color identity;select .U:57 or .U:99 or .U:189 or .U:190 or .U:191 or .U:192 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:225 or .U:226; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: D-serine | Ligand Info | |||||
| Structure Description | Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Ser) | PDB:4JK5 | ||||
| Method | X-ray diffraction | Resolution | 1.55 Å | Mutation | Yes | [5] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DSN or .DSN2 or .DSN3 or :3DSN;style chemicals stick;color identity;select .A:146 or .A:191 or .A:192 or .A:216 or .A:218 or .A:220; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: PMID18163548C4 | Ligand Info | |||||
| Structure Description | Urokinase Plasminogen Activator B-Chain-JT463 Complex | PDB:1VJA | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [6] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7IN or .7IN2 or .7IN3 or :37IN;style chemicals stick;color identity;select .U:57 or .U:97B or .U:97A or .U:97 or .U:98 or .U:99 or .U:146 or .U:189 or .U:190 or .U:191 or .U:192 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS57
3.634
LEU97B
2.557
THR97A
4.032
ASP97
4.891
ALA98
4.600
HIS99
3.011
SER146
4.207
ASP189
2.873
SER190
2.928
CYS191
3.965
GLN192
3.023
SER195
3.081
VAL213
3.568
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| Ligand Name: 5-(N,N-hexamethylene)-amiloride | Ligand Info | |||||
| Structure Description | uPA-HMA | PDB:5ZA7 | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [7] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .HMX or .HMX2 or .HMX3 or :3HMX;style chemicals stick;color identity;select .U:57 or .U:99 or .U:172 or .U:189 or .U:190 or .U:191 or .U:192 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Thieno[2,3-B]Pyridine-2-Carboxamidine | Ligand Info | |||||
| Structure Description | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | PDB:1C5Y | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [8] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ESP or .ESP2 or .ESP3 or :3ESP;style chemicals stick;color identity;select .B:57 or .B:99 or .B:172 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:222 or .B:224 or .B:225 or .B:226 or .B:227 or .B:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS57
3.225
HIS99
4.931
TYR172
4.594
ASP189
1.987
SER190
1.964
CYS191
2.865
GLN192
2.255
GLY193
4.194
ASP194
4.894
SER195
2.091
VAL213
3.455
SER214
3.749
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| Ligand Name: Benzamidine | Ligand Info | |||||
| Structure Description | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors | PDB:2O8U | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [9] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RVTYVCGGSL46 ISPCWVISAT56 HCFIDYPKKE62A DYIVYLGRSR 72 LNSNTQGEMK82 FEVENLILHK92 DYSADAHHND102 IALLKIRSKE110B GRCAQPSRTI 118 QTIALPSMYN128 DPQFGTSCEI138 TGFGKEQSTD148 YLYPEQLKMT158 VVKLISHREC 168 QQPHYYGSEV176 TTKMLCAADP185A QWKTDSCQGD194 AGGPLVCSLQ204 GRMTLTGIVS 214 WGRGCALKDK224 PGVYTRVSHF234 LPWIRSHT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BEN or .BEN2 or .BEN3 or :3BEN;style chemicals stick;color identity;select .A:130 or .A:131 or .A:132 or .A:163 or .A:164 or .A:165 or .A:166 or .A:181 or .A:189 or .A:190 or .A:191 or .A:192 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:219 or .A:220 or .A:221 or .A:224 or .A:225 or .A:226 or .A:227 or .A:228 or .A:230; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PRO130
4.859
GLN131
4.553
PHE132
3.124
ILE163
3.564
SER164
3.493
HIS165
3.527
ARG166
4.892
LEU181
3.829
ASP189
2.896
SER190
2.740
CYS191
3.871
GLN192
3.869
ALA195
4.785
VAL213
3.704
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-iodobenzo[b]thiophene 2-carboxamidine | Ligand Info | |||||
| Structure Description | STRUCTURAL BASIS FOR SELECTIVITY OF A SMALL MOLECULE, S1-BINDING, SUB-MICROMOLAR INHIBITOR OF UROKINASE TYPE PLASMINOGEN ACTIVATOR | PDB:1C5X | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [8] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ESI or .ESI2 or .ESI3 or :3ESI;style chemicals stick;color identity;select .B:57 or .B:172 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:222 or .B:224 or .B:225 or .B:226 or .B:227 or .B:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS57
3.273
TYR172
4.431
ASP189
1.993
SER190
2.111
CYS191
2.941
GLN192
1.964
GLY193
4.062
ASP194
4.545
SER195
2.385
VAL213
2.982
SER214
3.371
TRP215
3.093
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-(1-Adamantyl)-N'-(4-Guanidinobenzyl)Urea | Ligand Info | |||||
| Structure Description | UROKINASE PLASMINOGEN ACTIVATOR B-CHAIN INHIBITOR COMPLEX | PDB:1EJN | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [10] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AGB or .AGB2 or .AGB3 or :3AGB;style chemicals stick;color identity;select .A:41 or .A:42 or .A:57 or .A:58 or .A:151 or .A:172 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:219 or .A:220 or .A:221 or .A:224 or .A:225 or .A:226 or .A:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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VAL41
3.479
CYS42
3.795
HIS57
3.654
CYS58
4.249
TYR151
4.037
TYR172
4.714
ASP189
2.672
SER190
2.904
CYS191
3.551
GLN192
3.467
GLY193
2.778
ASP194
3.632
SER195
3.169
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| Ligand Name: CRA_10655 | Ligand Info | |||||
| Structure Description | Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors | PDB:1O3P | ||||
| Method | X-ray diffraction | Resolution | 1.81 Å | Mutation | Yes | [11] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .655 or .6552 or .6553 or :3655;style chemicals stick;color identity;select .B:40 or .B:41 or .B:42 or .B:57 or .B:58 or .B:59 or .B:60A or .B:151 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:196 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:225 or .B:226 or .B:227 or .B:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR40
4.726
VAL41
2.808
CYS42
3.520
HIS57
1.668
CYS58
2.031
PHE59
4.581
ASP60A
4.398
TYR151
4.117
ASP189
2.965
SER190
2.395
CYS191
3.009
GLN192
2.421
GLY193
3.225
ASP194
3.360
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| Ligand Name: (2R)-1-(2,6-dimethylphenoxy)propan-2-amine | Ligand Info | |||||
| Structure Description | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | PDB:2VIN | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [12] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .505 or .5052 or .5053 or :3505;style chemicals stick;color identity;select .A:57 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:219 or .A:220 or .A:221 or .A:225 or .A:226 or .A:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | Ligand Info | |||||
| Structure Description | Urokinase plasminogen activator B-chain-GPPE complex | PDB:2R2W | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | Yes | [13] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4PG or .4PG2 or .4PG3 or :34PG;style chemicals stick;color identity;select .U:57 or .U:99 or .U:172 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:194 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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HIS57
3.362
HIS99
3.545
TYR172
4.759
ASP189
2.766
SER190
2.778
CYS191
3.656
GLN192
3.276
GLY193
2.994
ASP194
4.064
SER195
3.457
VAL213
3.627
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| Ligand Name: 4-AMBA | Ligand Info | |||||
| Structure Description | Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol | PDB:3KGP | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | Yes | [14] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHVTYVCGGS45 LISPCWVISA55 THCFIDYPKK62 EDYIVYLGRS 71 RLNSNTQGEM81 KFEVENLILH91 KDYSADAHHN101 DIALLKIRSK110A EGRCAQPSRT 117 IQTIALPSMY127 NDPQFGTSCE137 ITGFGKEQST147 DYLYPEQLKM157 TVVKLISHRE 167 CQQPHYYGSE175 VTTKMLCAAD185 PQWKTDSCQG193 DSGGPLVCSL203 QGRMTLTGIV 213 SWGRGCALKD223A KPGVYTRVSH233 FLPWIRSHT
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4AZ or .4AZ2 or .4AZ3 or :34AZ;style chemicals stick;color identity;select .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:219 or .A:220 or .A:225 or .A:226 or .A:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: D-Alanine | Ligand Info | |||||
| Structure Description | The crystal structure of mupain-1-17 in complex with murinised human uPA at pH4.6 | PDB:4X1P | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [15] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAYHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DAL or .DAL2 or .DAL3 or :3DAL;style chemicals stick;color identity;select .U:191 or .U:192 or .U:216 or .U:217 or .U:219 or .U:220; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Piperidine-1-carboxamidine | Ligand Info | |||||
| Structure Description | The crystal structure of mupain-1-17 in complex with murinised human uPA at pH4.6 | PDB:4X1P | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [15] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAYHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MRZ or .MRZ2 or .MRZ3 or :3MRZ;style chemicals stick;color identity;select .U:189 or .U:190 or .U:191 or .U:192 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6-(N-Phenylcarbamyl)-2-Naphthalenecarboxamidine | Ligand Info | |||||
| Structure Description | Substituted 2-Naphthamidine inhibitors of urokinase | PDB:1OWE | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [16] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV32 CGGSLMSPCW48 VISATHCFID58 YPKKEDYIVY 70 LGRSRLNSNT82 QGEMKFEVEN92 LILHKDYSAD102 TLAHHNDIAL112 LKIRSKEGRC 122 AQPSRTIQTI132 CLPSMYNDPQ142 FGTSCEITGF152 GKEQSTDYLY162 PEQLKMTVVK 173 LISHRECQQP183 HYYGSEVTTK193 MLCAADPQWK203 TDSCQGDSGG213 PLVCSLQGRM 223 TLTGIVSWGR233 GCALKDKPGV243 YTRVSHFLPW253 IRSHT
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .675 or .6752 or .6753 or :3675;style chemicals stick;color identity;select .A:54 or .A:106 or .A:205 or .A:206 or .A:207 or .A:208 or .A:211 or .A:229 or .A:230 or .A:231 or .A:232 or .A:233 or .A:234 or .A:235 or .A:236 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS54
3.398
HIS106
3.617
ASP205
2.836
SER206
2.771
CYS207
4.083
GLN208
2.887
SER211
3.405
VAL229
3.833
SER230
4.037
TRP231
3.597
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-amino-5-hydroxy-benzimidazole | Ligand Info | |||||
| Structure Description | Crystal structure of human microurokinase in complex with 2-amino-5-hydroxy-benzimidazole | PDB:1FV9 | ||||
| Method | X-ray diffraction | Resolution | 3.00 Å | Mutation | No | [17] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV29 CGGSLMSPCW39 VISATHCFID49 YPKKEDYIVY 59 LGRSRLNSNT69 QGEMKFEVEN79 LILHKDYSAD89 TLAHHNDIAL99 LKIRSKEGRC 109 AQPSRTIQTI119 ALPSMYNDPQ129 FGTSCEITGF139 GKENSTDYLY149 PEQLKMTVVK 159 LISHRECQQP169 HYYGSEVTTK179 MLCAADPQWK189 TDSCQGDSGG199 PLVCSLQGRM 209 TLTGIVSWGR219 GCALKDKPGV229 YTRVSHFLPW239 IRSHT
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .172 or .1722 or .1723 or :3172;style chemicals stick;color identity;select .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:197 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:226 or .A:227 or .A:228 or .A:230; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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||||||
| Ligand Name: 1-({4-Chloro-1-[(Diaminomethylidene)amino]isoquinolin-7-Yl}sulfonyl)-D-Proline | Ligand Info | |||||
| Structure Description | UROKINASE-TYPE PLASMINOGEN ACTIVATOR INHIBITOR COMPLEX WITH A 1-(7- SULPHOAMIDOISOQUINOLINYL)GUANIDINE | PDB:2VNT | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [18] |
| PDB Sequence |
KFQCGQKTLI
10 IGGEFTTIEN20 QPWFAAIYRR30 HRGGSVTYVC40 GGSLMSPCWV50 ISATHCFIDY 60 PKKEDYIVYL70 GRSRLNSNTQ80 GEMKFEVENL90 ILHKDYSADT100 LAHHNDIALL 110 KIRSKEGRCA120 QPSRTIQTIC130 LPSMYNDPQF140 GTSCEITGFG150 KENSTDYLYP 160 EQLKMTVVKL170 ISHRECQQPH180 YYGSEVTTKM190 LCAADPQWKT200 DSCQGDSGGP 210 LVCSLQGRMT220 LTGIVSWGRG230 CALKDKPGVY240 TRVSHFLPWI250 RSHTKEEN |
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QGG or .QGG2 or .QGG3 or :3QGG;style chemicals stick;color identity;select .A:55 or .A:100 or .A:101 or .A:154 or .A:182 or .A:201 or .A:202 or .A:203 or .A:204 or .A:205 or .A:206 or .A:207 or .A:225 or .A:226 or .A:227 or .A:228 or .A:229 or .A:230 or .A:231 or .A:232 or .A:236 or .A:237 or .A:238 or .A:239; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS55
4.702
THR100
4.737
LEU101
4.226
SER154
4.737
TYR182
4.435
ASP201
2.822
SER202
2.914
CYS203
3.791
GLN204
3.426
GLY205
4.994
ASP206
4.634
SER207
2.744
|
|||||
| Ligand Name: Benzylsulfonylserylglycine amidinobenzamide | Ligand Info | |||||
| Structure Description | Urokinase Plasminogen Activator B-Chain-J435 Complex | PDB:1SC8 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [6] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2IN or .2IN2 or .2IN3 or :32IN;style chemicals stick;color identity;select .U:57 or .U:97B or .U:97A or .U:97 or .U:98 or .U:99 or .U:143 or .U:146 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
4.133
LEU97B
2.602
THR97A
3.833
ASP97
4.728
ALA98
4.596
HIS99
3.026
LYS143
4.347
SER146
4.396
ASP189
2.819
SER190
2.964
CYS191
3.921
GLN192
2.952
GLY193
4.846
SER195
3.175
|
|||||
| Ligand Name: N-(Benzylsulfonyl)-L-seryl-N~1~-{4-[amino(imino)methyl]benzyl}-O-benzyl-L-serinamide | Ligand Info | |||||
| Structure Description | Urokinase Plasminogen Activator B-Chain-JT464 Complex | PDB:1VJ9 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | Yes | [6] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .5IN or .5IN2 or .5IN3 or :35IN;style chemicals stick;color identity;select .U:57 or .U:60A or .U:60 or .U:94 or .U:96 or .U:97B or .U:97A or .U:97 or .U:98 or .U:99 or .U:143 or .U:146 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
3.861
ASP60A
4.293
ILE60
3.900
TYR94
3.815
ALA96
4.309
LEU97B
2.531
THR97A
3.944
ASP97
4.984
ALA98
4.623
HIS99
3.091
LYS143
4.838
SER146
3.880
ASP189
2.748
SER190
3.018
CYS191
3.962
GLN192
3.005
|
|||||
| Ligand Name: 6-Chloro-2-(2-hydroxy-biphenyl-3-YL)-1H-indole-5-carboxamidine | Ligand Info | |||||
| Structure Description | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | PDB:1GJ7 | ||||
| Method | X-ray diffraction | Resolution | 1.50 Å | Mutation | No | [19] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .132 or .1322 or .1323 or :3132;style chemicals stick;color identity;select .B:41 or .B:42 or .B:57 or .B:58 or .B:59 or .B:60A or .B:151 or .B:172 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:195 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:222 or .B:224 or .B:225 or .B:226 or .B:227 or .B:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL41
3.108
CYS42
2.671
HIS57
1.683
CYS58
2.254
PHE59
4.700
ASP60A
4.341
TYR151
4.866
TYR172
4.608
ASP189
2.106
SER190
1.945
CYS191
2.773
GLN192
2.720
GLY193
3.168
SER195
2.255
|
|||||
| Ligand Name: n-(4-Carbamimidoyl-phenyl)-2-hydroxy-benzamide | Ligand Info | |||||
| Structure Description | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | PDB:1GJA | ||||
| Method | X-ray diffraction | Resolution | 1.56 Å | Mutation | No | [19] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .135 or .1352 or .1353 or :3135;style chemicals stick;color identity;select .B:41 or .B:42 or .B:57 or .B:58 or .B:99 or .B:151 or .B:172 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:222 or .B:224 or .B:225 or .B:226 or .B:227 or .B:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL41
4.041
CYS42
3.689
HIS57
2.702
CYS58
4.229
HIS99
4.432
TYR151
4.893
TYR172
4.743
ASP189
2.176
SER190
1.973
CYS191
3.019
GLN192
2.405
GLY193
1.878
ASP194
3.198
SER195
1.770
|
|||||
| Ligand Name: 3-azanyl-5-(azepan-1-yl)-6-(1-benzofuran-2-yl)-Ncarbamimidoyl-pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | uPA-BB2-50F | PDB:5ZA9 | ||||
| Method | X-ray diffraction | Resolution | 1.62 Å | Mutation | Yes | [7] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .50I or .50I2 or .50I3 or :350I;style chemicals stick;color identity;select .U:143 or .U:146 or .U:172 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LYS143
4.509
SER146
3.479
TYR172
4.695
ASP189
2.866
SER190
2.517
CYS191
3.703
GLN192
2.145
GLY193
4.901
SER195
3.314
VAL213
3.797
SER214
3.430
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-{5-[Amino(iminio)methyl]-6-fluoro-1H-benzimidazol-2-YL}-6-[(2-methylcyclohexyl)oxy]benzenolate | Ligand Info | |||||
| Structure Description | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | PDB:1O5C | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [20] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDACQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CR9 or .CR92 or .CR93 or :3CR9;style chemicals stick;color identity;select .B:40 or .B:41 or .B:42 or .B:57 or .B:58 or .B:59 or .B:60A or .B:60 or .B:64 or .B:151 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:196 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:225 or .B:226 or .B:227 or .B:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR40
3.910
VAL41
1.890
CYS42
3.249
HIS57
1.537
CYS58
2.005
PHE59
4.435
ASP60A
3.752
ILE60
5.000
TYR64
4.661
TYR151
3.630
ASP189
3.332
ALA190
2.529
CYS191
2.860
GLN192
2.755
GLY193
3.246
|
|||||
| Ligand Name: 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-N-carbamimidoyl-pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of uPA in complex with 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-N-carbamimidoyl-pyrazine-2- carboxamide | PDB:6AG9 | ||||
| Method | X-ray diffraction | Resolution | 1.63 Å | Mutation | Yes | [21] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9XF or .9XF2 or .9XF3 or :39XF;style chemicals stick;color identity;select .U:146 or .U:172 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
SER146
4.411
TYR172
4.832
ASP189
2.877
SER190
2.740
CYS191
3.874
GLN192
3.382
GLY193
4.901
SER195
3.135
VAL213
3.827
SER214
3.656
|
|||||
| Ligand Name: 6-Fluoro-2-(2-hydroxy-3-isobutoxy-phenyl)-1H-benzoimidazole-5-carboxamidine | Ligand Info | |||||
| Structure Description | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | PDB:1GJ8 | ||||
| Method | X-ray diffraction | Resolution | 1.64 Å | Mutation | No | [19] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .133 or .1332 or .1333 or :3133;style chemicals stick;color identity;select .B:40 or .B:41 or .B:42 or .B:57 or .B:58 or .B:59 or .B:60A or .B:151 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:196 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:225 or .B:226 or .B:227 or .B:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR40
4.922
VAL41
2.092
CYS42
2.922
HIS57
1.674
CYS58
1.999
PHE59
3.921
ASP60A
3.814
TYR151
4.842
ASP189
3.483
SER190
2.592
CYS191
3.006
GLN192
2.497
GLY193
3.323
ASP194
3.609
|
|||||
| Ligand Name: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | uPA-31F | PDB:5ZAJ | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [7] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .32I or .32I2 or .32I3 or :332I;style chemicals stick;color identity;select .U:57 or .U:99 or .U:143 or .U:146 or .U:172 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
4.127
HIS99
4.671
LYS143
4.306
SER146
3.834
TYR172
4.737
ASP189
2.971
SER190
2.874
CYS191
3.547
GLN192
3.310
GLY193
4.970
SER195
3.095
VAL213
3.759
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-3-yl)pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | uPA-BB2-28F | PDB:5ZAF | ||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | Yes | [7] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .28I or .28I2 or .28I3 or :328I;style chemicals stick;color identity;select .U:57 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-{5-[Amino(iminio)methyl]-1H-indol-2-YL}-1,1'-biphenyl-2-olate | Ligand Info | |||||
| Structure Description | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | PDB:1O5A | ||||
| Method | X-ray diffraction | Resolution | 1.68 Å | Mutation | Yes | [20] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDACQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .696 or .6962 or .6963 or :3696;style chemicals stick;color identity;select .B:41 or .B:42 or .B:57 or .B:58 or .B:59 or .B:60A or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:196 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:225 or .B:226 or .B:227 or .B:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL41
2.706
CYS42
2.775
HIS57
1.661
CYS58
2.460
PHE59
4.402
ASP60A
4.125
ASP189
3.106
ALA190
2.502
CYS191
2.998
GLN192
2.537
GLY193
3.335
ASP194
3.672
SER195
1.246
|
|||||
| Ligand Name: 4-(2-Aminoethoxy)-3,5-Dichloro-N-[3-(1-Methylethoxy)phenyl]benzamide | Ligand Info | |||||
| Structure Description | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | PDB:2VIP | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | Yes | [12] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L1R or .L1R2 or .L1R3 or :3L1R;style chemicals stick;color identity;select .A:41 or .A:42 or .A:57 or .A:58 or .A:99 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:219 or .A:220 or .A:221 or .A:226; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(2-Aminoethoxy)-N-(3-Chloro-5-Piperidin-1-Ylphenyl)-3,5-Dimethylbenzamide | Ligand Info | |||||
| Structure Description | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | PDB:2VIV | ||||
| Method | X-ray diffraction | Resolution | 1.72 Å | Mutation | Yes | [12] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .VG2 or .VG22 or .VG23 or :3VG2;style chemicals stick;color identity;select .A:57 or .A:94 or .A:99 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:219 or .A:220 or .A:221 or .A:225 or .A:226; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(2-Hydroxy-biphenyl)-1h-benzoimidazole-5-carboxamidine | Ligand Info | |||||
| Structure Description | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | PDB:1GJC | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | No | [19] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .130 or .1302 or .1303 or :3130;style chemicals stick;color identity;select .B:41 or .B:42 or .B:57 or .B:58 or .B:59 or .B:60 or .B:60A or .B:151 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:196 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:225 or .B:226 or .B:227 or .B:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL41
2.880
CYS42
2.978
HIS57
1.684
CYS58
2.313
PHE59
4.391
ILE60
4.902
ASP60A
4.112
TYR151
4.439
ASP189
2.954
SER190
2.413
CYS191
2.993
GLN192
2.328
GLY193
3.323
ASP194
3.523
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | uPA-6F-HMA | PDB:5ZAE | ||||
| Method | X-ray diffraction | Resolution | 1.73 Å | Mutation | Yes | [7] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .EAU or .EAU2 or .EAU3 or :3EAU;style chemicals stick;color identity;select .U:57 or .U:146 or .U:172 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
3.957
SER146
4.786
TYR172
4.733
ASP189
2.943
SER190
2.760
CYS191
3.865
GLN192
3.453
GLY193
4.998
SER195
3.011
VAL213
3.839
SER214
3.539
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: (2R)-2-azanyl-3-(4-carbamimidamidophenyl)propanoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of uPA in complex with upain-2-3-W3A | PDB:5WXP | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [2] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7XC or .7XC2 or .7XC3 or :37XC;style chemicals stick;color identity;select .U:57 or .U:172 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:194 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
3.643
TYR172
4.494
ASP189
2.809
SER190
2.950
CYS191
3.263
GLN192
3.420
GLY193
2.733
ASP194
3.701
SER195
2.745
VAL213
3.798
SER214
3.699
|
|||||
| Ligand Name: n-(4-Carbamimidoyl-3-choro-phenyl)-2-hydroxy-3-iodo-5-methyl-benzamide | Ligand Info | |||||
| Structure Description | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | PDB:1GJD | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [19] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .136 or .1362 or .1363 or :3136;style chemicals stick;color identity;select .B:41 or .B:42 or .B:57 or .B:58 or .B:151 or .B:172 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:222 or .B:224 or .B:225 or .B:226 or .B:227 or .B:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL41
3.418
CYS42
3.671
HIS57
3.315
CYS58
4.947
TYR151
4.225
TYR172
4.302
ASP189
2.116
SER190
1.939
CYS191
2.598
GLN192
2.246
GLY193
2.008
ASP194
3.461
SER195
1.833
VAL213
2.860
|
|||||
| Ligand Name: 3,5-bis(azanyl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | uPA-HMA | PDB:6AG2 | ||||
| Method | X-ray diffraction | Resolution | 1.77 Å | Mutation | Yes | [22] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9X9 or .9X92 or .9X93 or :39X9;style chemicals stick;color identity;select .U:172 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(2-Aminoethoxy)-3,5-Dichlorobenzoic Acid | Ligand Info | |||||
| Structure Description | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | PDB:2VIO | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [12] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .L1O or .L1O2 or .L1O3 or :3L1O;style chemicals stick;color identity;select .A:57 or .A:189 or .A:190 or .A:191 or .A:192 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:219 or .A:220 or .A:221 or .A:226; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Fluoro-2-[2-hydroxy-3-(2-methyl-cyclohexyloxy)-phenyl]-1H-indole-5-carboxamidine | Ligand Info | |||||
| Structure Description | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | PDB:1GJ9 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [19] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .134 or .1342 or .1343 or :3134;style chemicals stick;color identity;select .B:40 or .B:41 or .B:42 or .B:57 or .B:58 or .B:59 or .B:60A or .B:151 or .B:172 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:222 or .B:224 or .B:225 or .B:226 or .B:227 or .B:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR40
4.785
VAL41
2.437
CYS42
2.460
HIS57
1.802
CYS58
2.305
PHE59
4.393
ASP60A
4.396
TYR151
3.022
TYR172
4.574
ASP189
2.131
SER190
2.148
CYS191
2.839
GLN192
1.470
GLY193
2.382
ASP194
4.893
|
|||||
| Ligand Name: 2-[(6-{[3'-(Aminomethyl)biphenyl-3-Yl]oxy}-4-[(3r)-3-(Dimethylamino)pyrrolidin-1-Yl]-3,5-Difluoropyridin-2-Yl)oxy]-4-(Dimethylamino)benzoic Acid | Ligand Info | |||||
| Structure Description | Low molecular weigth human Urokinase type Plasminogen activator 2-[6-(3'-Aminomethyl-biphenyl-3-yloxy)-4-(3-dimethylamino-pyrrolidin-1-yl)-3,5-difluoro-pyridin-2-yloxy]-4-dimethylamino-benzoic acid complex | PDB:3IG6 | ||||
| Method | X-ray diffraction | Resolution | 1.83 Å | Mutation | No | [23] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .438 or .4382 or .4383 or :3438;style chemicals stick;color identity;select .B:40 or .B:41 or .B:42 or .B:57 or .B:58 or .B:96 or .B:97B or .B:97 or .B:97A or .B:98 or .B:99 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:218 or .B:220 or .B:221 or .B:226; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR40
4.731
VAL41
3.234
CYS42
3.729
HIS57
2.838
CYS58
4.098
ALA96
3.639
LEU97B
3.014
ASP97
4.031
THR97A
4.598
ALA98
3.463
HIS99
3.200
ASP189
2.835
SER190
2.834
CYS191
3.442
|
|||||
| Ligand Name: 1-Phenylguanidine | Ligand Info | |||||
| Structure Description | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors | PDB:2O8W | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | Yes | [24] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDAGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PL0 or .PL02 or .PL03 or :3PL0;style chemicals stick;color identity;select .A:172 or .A:189 or .A:190 or .A:191 or .A:192 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:219 or .A:220 or .A:221 or .A:224 or .A:225 or .A:226 or .A:227 or .A:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 3-amino-5-(azepan-1-yl)-N-(diaminomethylidene)-6-(1-methylpyrazol-4-yl)pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | uPA-BB2-27F | PDB:5ZA8 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [7] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .27I or .27I2 or .27I3 or :327I;style chemicals stick;color identity;select .U:57 or .U:146 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
4.279
SER146
4.788
ASP189
2.917
SER190
2.841
CYS191
3.865
GLN192
3.353
GLY193
4.701
SER195
3.133
VAL213
3.913
SER214
3.335
|
|||||
| Ligand Name: 3-amino-5-(azepan-1-yl)-N-(diaminomethylidene)-6-pyrimidin-5-ylpyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | uPA-BB2-94F | PDB:5ZAG | ||||
| Method | X-ray diffraction | Resolution | 1.95 Å | Mutation | Yes | [7] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .94I or .94I2 or .94I3 or :394I;style chemicals stick;color identity;select .U:57 or .U:172 or .U:189 or .U:190 or .U:191 or .U:192 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-(2-Aminoethoxy)-N-(2,5-Diethoxyphenyl)-3,5-Dimethylbenzamide | Ligand Info | |||||
| Structure Description | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | PDB:2VIQ | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [12] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D55 or .D552 or .D553 or :3D55;style chemicals stick;color identity;select .A:41 or .A:42 or .A:57 or .A:58 or .A:97 or .A:97A or .A:97B or .A:99 or .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:219 or .A:220 or .A:221 or .A:226; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL41
4.321
CYS42
4.512
HIS57
3.287
CYS58
3.531
ASP97
4.839
THR97A
4.081
LEU97B
3.903
HIS99
2.986
ASP189
2.655
SER190
2.661
CYS191
3.559
GLN192
3.438
|
|||||
| Ligand Name: 4-(2-Aminoethoxy)-N-(3-Chloro-2-Ethoxy-5-Piperidin-1-Ylphenyl)-3,5-Dimethylbenzamide | Ligand Info | |||||
| Structure Description | Fragment-Based Discovery of Mexiletine Derivatives as Orally Bioavailable Inhibitors of Urokinase-Type Plasminogen Activator | PDB:2VIW | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [12] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .D56 or .D562 or .D563 or :3D56;style chemicals stick;color identity;select .A:41 or .A:42 or .A:57 or .A:58 or .A:94 or .A:97A or .A:97B or .A:99 or .A:189 or .A:190 or .A:191 or .A:192 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:219 or .A:220 or .A:225 or .A:226 or .A:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL41
4.052
CYS42
4.404
HIS57
3.444
CYS58
3.728
TYR94
4.050
THR97A
4.517
LEU97B
4.422
HIS99
2.798
ASP189
3.367
SER190
3.033
CYS191
3.643
GLN192
3.373
|
|||||
| Ligand Name: H-D-Pyr-Gly-Arg-Unk | Ligand Info | |||||
| Structure Description | Crystal structure of uPA-S195A in complex with S2444 | PDB:5WXT | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | Yes | [25] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDAGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7YR or .7YR2 or .7YR3 or :37YR;style chemicals stick;color identity;select .U:41 or .U:42 or .U:57 or .U:58 or .U:59 or .U:60A or .U:97B or .U:97A or .U:99 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:194 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL41
3.415
CYS42
3.460
HIS57
2.799
CYS58
2.777
PHE59
4.683
ASP60A
4.671
LEU97B
4.266
THR97A
4.869
HIS99
3.322
ASP189
2.831
SER190
2.705
CYS191
3.460
GLN192
3.435
GLY193
2.747
ASP194
3.464
|
|||||
| Ligand Name: (2R)-N-[2-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]-5-oxo-1,2-dihydropyrrole-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of uPA in complex with S2444 | PDB:5WXS | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | Yes | [26] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7YF or .7YF2 or .7YF3 or :37YF;style chemicals stick;color identity;select .U:57 or .U:97A or .U:97B or .U:99 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:194 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
3.459
THR97A
3.869
LEU97B
3.640
HIS99
3.501
ASP189
2.878
SER190
2.597
CYS191
3.697
GLN192
2.962
GLY193
3.724
ASP194
4.445
SER195
1.435
VAL213
4.071
|
|||||
| Ligand Name: (4-(Aminomethyl)phenyl)methanol | Ligand Info | |||||
| Structure Description | Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol | PDB:3KHV | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | Yes | [27] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RSVTYVCGGS45 LISPCWVISA55 THCFIDYPKK62 EDYIVYLGRS 71 RLNSNTQGEM81 KFEVENLILH91 KDYSAAHHND102 IALLKIRSKE110B GRCAQPSRTI 118 QTIALPSMYN128 DPQFGTSCEI138 TGFGKEQSTD148 YLYPEQLKMT158 VVKLISHREC 168 QQPHYYGSEV176 TTKMLCAADP185A QWKTDSCQGD194 SGGPLVCSLQ204 GRMTLTGIVS 214 WGRGCALKDK224 PGVYTRVSHF234 LPWIRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4AL or .4AL2 or .4AL3 or :34AL;style chemicals stick;color identity;select .A:189 or .A:190 or .A:191 or .A:192 or .A:193 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:219 or .A:220 or .A:226 or .A:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3,5-bis(azanyl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | Crystal structure of uPA in complex with 3,5-bis(azanyl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide | PDB:6AG3 | ||||
| Method | X-ray diffraction | Resolution | 2.48 Å | Mutation | Yes | [28] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9XC or .9XC2 or .9XC3 or :39XC;style chemicals stick;color identity;select .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:194 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ASP189
2.981
SER190
2.282
CYS191
3.505
GLN192
3.531
GLY193
4.593
ASP194
4.784
SER195
2.534
VAL213
3.713
SER214
4.620
TRP215
3.790
|
|||||
| Ligand Name: L-Alpha-Glutamyl-N-{(1s)-4-{[amino(Iminio)methyl]amino}-1-[(1s)-2-Chloro-1-Hydroxyethyl]butyl}glycinamide | Ligand Info | |||||
| Structure Description | LMW U-PA Structure complexed with EGRCMK (GLU-GLY-ARG Chloromethyl Ketone) | PDB:1LMW | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [29] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .0GJ or .0GJ2 or .0GJ3 or :30GJ;style chemicals stick;color identity;select .B:42 or .B:57 or .B:58 or .B:97B or .B:98 or .B:99 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:218 or .B:220 or .B:221 or .B:225 or .B:226 or .B:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
CYS42
4.540
HIS57
1.475
CYS58
4.884
LEU97B
2.789
ALA98
4.991
HIS99
3.012
ASP189
3.103
SER190
2.835
CYS191
3.822
GLN192
3.571
GLY193
3.520
ASP194
4.478
|
|||||
| Ligand Name: [2,4,6-Triisopropyl-phenylsulfonyl-L-[3-amidino-phenylalanine]]-piperazine-N'-beta-alanine | Ligand Info | |||||
| Structure Description | UROKINASE PLASMINOGEN ACTIVATOR B CHAIN-UKI-1D COMPLEX | PDB:1F92 | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [3] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UKP or .UKP2 or .UKP3 or :3UKP;style chemicals stick;color identity;select .A:57 or .A:60 or .A:60A or .A:94 or .A:96 or .A:97B or .A:97A or .A:99 or .A:189 or .A:190 or .A:191 or .A:192 or .A:195 or .A:213 or .A:214 or .A:215 or .A:216 or .A:217 or .A:219 or .A:220 or .A:221 or .A:224 or .A:225 or .A:226 or .A:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
3.523
ILE60
4.012
ASP60A
4.530
TYR94
3.164
ALA96
4.665
LEU97B
3.155
THR97A
4.320
HIS99
3.124
ASP189
2.793
SER190
2.830
CYS191
3.701
GLN192
3.504
SER195
3.803
|
|||||
| Ligand Name: Ethyl 2-amino-1,3-benzothiazole-6-carboxylate | Ligand Info | |||||
| Structure Description | The Crystal Structures of 2-Aminobenzothiazole-based Inhibitors in Complexes with Urokinase-type Plasminogen Activator | PDB:3KID | ||||
| Method | X-ray diffraction | Resolution | 2.71 Å | Mutation | Yes | [30] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RVTYVCGGSL46 ISPCWVISAT56 HCFIDYPKKE62A DYIVYLGRSR 72 LNSNTQGEMK82 FEVENLILHK92 DYSAAHHNDI103 ALLKIRSKEG110C RCAQPSRTIQ 119 TIALPSMYND129 PQFGTSCEIT139 GFGKEQSTDY149 LYPEQLKMTV159 VKLISHRECQ 169 QPHYYGSEVT177 TKMLCAADPQ185B WKTDSCQGDS195 GGPLVCSLQG205 RMTLTGIVSW 215 GRGCALKDKP225 GVYTRVSHFL235 PWIRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2BS or .2BS2 or .2BS3 or :32BS;style chemicals stick;color identity;select .U:57 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:194 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:219 or .U:220 or .U:226 or .U:227 or .U:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | uPA-BB2-30F | PDB:5ZAH | ||||
| Method | X-ray diffraction | Resolution | 2.98 Å | Mutation | Yes | [7] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .30I or .30I2 or .30I3 or :330I;style chemicals stick;color identity;select .U:57 or .U:146 or .U:189 or .U:190 or .U:191 or .U:192 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:225 or .U:226 or .U:227 or .U:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-Amidino-2-naphthol | Ligand Info | |||||
| Structure Description | Crystal structure of uPA in complex with 6-amidino-2-naphthol | PDB:7VM6 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | No | [31] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7R8 or .7R82 or .7R83 or :37R8;style chemicals stick;color identity;select .U:189 or .U:190 or .U:191 or .U:192 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2,5,8,11,14,17-Hexaoxaoctadecane | Ligand Info | |||||
| Structure Description | Synthesis of a Weak Basic uPA Inhibitor and Crystal Structure of Complex with uPA | PDB:4H42 | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | Yes | [32] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PG6 or .PG62 or .PG63 or :3PG6;style chemicals stick;color identity;select .U:135 or .U:136 or .U:137 or .U:159 or .U:200 or .U:202 or .U:207; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N-[(2-Amino-1,3-Benzothiazol-6-Yl)carbonyl]glycine | Ligand Info | |||||
| Structure Description | Synthesis of a Weak Basic uPA Inhibitor and Crystal Structure of Complex with uPA | PDB:4H42 | ||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | Yes | [32] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKEE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .11E or .11E2 or .11E3 or :311E;style chemicals stick;color identity;select .U:41 or .U:42 or .U:57 or .U:151 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:194 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:219 or .U:220 or .U:225 or .U:226 or .U:227 or .U:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
VAL41
4.816
CYS42
4.957
HIS57
3.017
TYR151
4.235
ASP189
3.811
SER190
2.391
CYS191
4.097
GLN192
3.308
GLY193
2.685
ASP194
4.696
SER195
3.017
|
|||||
| Ligand Name: 2-Aminobenzothiazole | Ligand Info | |||||
| Structure Description | The complex crystal Structure of Urokianse and 2-Aminobenzothiazole | PDB:3MHW | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | Yes | [33] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 LAHHNDIALL106 KIRSKEGRCA 112 QPSRTIQTIS122 LPSMYNDPQF132 GTSCEITGFG142 KENSTDYLYP152 EQLKMTVVKL 162 ISHRECQQPH170B YYGSEVTTKM180 LCAADPQWKT188 DSCQGDSGGP198 LVCSLQGRMT 208 LTGIVSWGRG219 CALKDKPGVY228 TRVSHFLPWI238 RSHTKE
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ABV or .ABV2 or .ABV3 or :3ABV;style chemicals stick;color identity;select .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: N-(Butylsulfonyl)-D-Seryl-N-{4-[amino(Imino)methyl]benzyl}-L-Alaninamide | Ligand Info | |||||
| Structure Description | Urokinase type plasminogen activator | PDB:1W0Z | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [34] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SI1 or .SI12 or .SI13 or :3SI1;style chemicals stick;color identity;select .U:57 or .U:97B or .U:97A or .U:97 or .U:98 or .U:99 or .U:189 or .U:190 or .U:191 or .U:192 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
3.765
LEU97B
2.608
THR97A
4.107
ASP97
4.929
ALA98
4.673
HIS99
2.769
ASP189
2.772
SER190
3.014
CYS191
3.715
GLN192
3.734
SER195
3.177
VAL213
3.574
|
|||||
| Ligand Name: N-(Benzylsulfonyl)-D-Seryl-N-(4-{[amino(Imino)methyl]amino}benzyl)-L-Alaninamide | Ligand Info | |||||
| Structure Description | UROKINASE TYPE PLASMINOGEN ACTIVATOR | PDB:1W13 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [34] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SM1 or .SM12 or .SM13 or :3SM1;style chemicals stick;color identity;select .U:57 or .U:97B or .U:97A or .U:99 or .U:143 or .U:146 or .U:172 or .U:189 or .U:190 or .U:191 or .U:192 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
3.734
LEU97B
3.011
THR97A
4.116
HIS99
2.863
LYS143
4.775
SER146
4.140
TYR172
4.542
ASP189
2.765
SER190
2.997
CYS191
3.583
GLN192
3.155
SER195
2.939
|
|||||
| Ligand Name: N-(Benzylsulfonyl)-D-Seryl-N-{4-[amino(Imino)methyl]benzyl}-L-Alaninamide | Ligand Info | |||||
| Structure Description | UROKINASE TYPE PLASMINOGEN ACTIVATOR | PDB:1W11 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [34] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SK1 or .SK12 or .SK13 or :3SK1;style chemicals stick;color identity;select .U:57 or .U:97B or .U:97A or .U:98 or .U:99 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
3.143
LEU97B
2.580
THR97A
4.040
ALA98
4.696
HIS99
2.725
ASP189
2.764
SER190
2.866
CYS191
3.685
GLN192
3.011
GLY193
4.928
SER195
3.090
VAL213
3.634
|
|||||
| Ligand Name: N-(Isobutoxycarbonyl)-D-Seryl-N-((1s)-4-{[amino(Imino)methyl]amino}-1-Formylbutyl)-L-Alaninamide | Ligand Info | |||||
| Structure Description | Urokinase type plasminogen activator | PDB:1W10 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [34] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SJ1 or .SJ12 or .SJ13 or :3SJ1;style chemicals stick;color identity;select .U:42 or .U:57 or .U:97B or .U:97A or .U:98 or .U:99 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:194 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
CYS42
4.998
HIS57
2.802
LEU97B
2.811
THR97A
4.215
ALA98
4.821
HIS99
3.719
ASP189
2.892
SER190
2.812
CYS191
3.426
GLN192
3.096
GLY193
4.282
ASP194
4.699
SER195
1.482
|
|||||
| Ligand Name: N-[(2-Phenylethyl)sulfonyl]-D-Seryl-N-[(1s)-4-[(Diaminomethylene)amino]-1-(Hydroxymethyl)butyl]-L-Alaninamide | Ligand Info | |||||
| Structure Description | UROKINASE TYPE PLASMINOGEN ACTIVATOR | PDB:1W14 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [34] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SH1 or .SH12 or .SH13 or :3SH1;style chemicals stick;color identity;select .U:57 or .U:97B or .U:97A or .U:98 or .U:99 or .U:146 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:194 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
2.832
LEU97B
2.792
THR97A
4.173
ALA98
4.791
HIS99
3.650
SER146
3.541
ASP189
2.917
SER190
2.743
CYS191
3.596
GLN192
2.837
GLY193
4.323
ASP194
4.667
SER195
1.479
|
|||||
| Ligand Name: N-((1s)-4-{[amino(Imino)methyl]amino}-1-Formylbutyl)-2-{(3r)-3-[(Benzylsulfonyl)amino]-2-Oxo-5-Phenyl-2,3-Dihydro-1h-1,4-Benzodiazepin-1-Yl}acetamide | Ligand Info | |||||
| Structure Description | UROKINASE TYPE PLASMINOGEN ACTIVATOR | PDB:1W12 | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [34] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 SLPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTKE
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .SL1 or .SL12 or .SL13 or :3SL1;style chemicals stick;color identity;select .U:42 or .U:57 or .U:97A or .U:97B or .U:97 or .U:98 or .U:99 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:194 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227 or .U:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
CYS42
4.880
HIS57
2.810
THR97A
3.100
LEU97B
3.350
ASP97
3.202
ALA98
3.655
HIS99
3.120
ASP189
2.857
SER190
2.658
CYS191
3.256
GLN192
2.734
GLY193
4.186
ASP194
4.684
SER195
1.548
|
|||||
| Ligand Name: 4-Bromobenzylamine | Ligand Info | |||||
| Structure Description | The crystal structure of uPA in complex with 4-Bromobenzylamirne at pH4.6 | PDB:5YC6 | ||||
| Method | X-ray diffraction | Resolution | 1.18 Å | Mutation | No | [35] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .PZH or .PZH2 or .PZH3 or :3PZH;style chemicals stick;color identity;select .U:57 or .U:189 or .U:190 or .U:191 or .U:192 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:219 or .U:220 or .U:225 or .U:226 or .U:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6-[(Phenylcarbamoyl)amino]naphthalene-2-Carboximidamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Urokinase | PDB:4FUH | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [36] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV30 CGGSLISPCW40 VISATHCFID50 YPKKEDYIVY 60 LGRSRLNSNT70 QGEMKFEVEN80 LILHKDYSAD90 TLAHHNDIAL100 LKIRSKEGRC 110 AQPSRTIQTI120 ALPSMYNDPQ130 FGTSCEITGF140 GKEQSTDYLY150 PEQLKMTVVK 160 LISHRECQQP170 HYYGSEVTTK180 MLCAADPQWK190 TDSCQGDSGG200 PLVCSLQGRM 210 TLTGIVSWGR220 GCALKDKPGV230 YTRVSHFLPW240 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1U2 or .1U22 or .1U23 or :31U2;style chemicals stick;color identity;select .A:46 or .A:173 or .A:192 or .A:193 or .A:194 or .A:195 or .A:196 or .A:197 or .A:198 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:224 or .A:227 or .A:228 or .A:229 or .A:230 or .A:231; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS46
3.515
TYR173
4.716
ASP192
1.999
SER193
2.095
CYS194
2.997
GLN195
2.705
GLY196
3.966
ASP197
4.773
SER198
2.395
VAL216
2.615
SER217
3.538
TRP218
3.086
|
|||||
| Ligand Name: Methyl (7-Carbamimidoylnaphthalen-1-Yl)carbamate | Ligand Info | |||||
| Structure Description | Crystal Structure of the Urokinase | PDB:4FUG | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | Yes | [37] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV31 CGGSLISPCW41 VISATHCFID51 YPKKEDYIVY 61 LGRSRLNSNT71 QGEMKFEVEN81 LILHKDYSAD91 TLAHHNDIAL101 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP171 HYYGSEVTTK181 MLCAADPQWK191 TDSCQGDSGG201 PLVCSLQGRM 211 TLTGIVSWGR221 GCALKDKPGV231 YTRVSHFLPW241 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .9UP or .9UP2 or .9UP3 or :39UP;style chemicals stick;color identity;select .A:47 or .A:146 or .A:193 or .A:194 or .A:195 or .A:196 or .A:199 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:224 or .A:228 or .A:229 or .A:230 or .A:231 or .A:232; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS47
4.969
SER146
3.852
ASP193
2.925
SER194
2.803
CYS195
3.837
GLN196
3.458
SER199
3.397
VAL217
3.809
SER218
4.233
TRP219
3.625
|
|||||
| Ligand Name: 6-[(2s,3s)-3-Phenyloxiran-2-Yl]naphthalene-2-Carboximidamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Urokinase | PDB:4FUB | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [38] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV30 CGGSLISPCW40 VISATHCFID50 YPKKEDYIVY 60 LGRSRLNSNT70 QGEMKFEVEN80 LILHKDYSAD90 TLAHHNDIAL100 LKIRSKEGRC 110 AQPSRTIQTI120 ALPSMYNDPQ130 FGTSCEITGF140 GKEQSTDYLY150 PEQLKMTVVK 160 LISHRECQQP170 HYYGSEVTTK180 MLCAADPQWK190 TDSCQGDSGG200 PLVCSLQGRM 210 TLTGIVSWGR220 GCALKDKPGV230 YTRVSHFLPW240 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .4UP or .4UP2 or .4UP3 or :34UP;style chemicals stick;color identity;select .A:46 or .A:94 or .A:192 or .A:193 or .A:194 or .A:195 or .A:198 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:227 or .A:228 or .A:229 or .A:230 or .A:231; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: (3s)-3-[(2s,3s,4r)-3,4-Dimethyltetrahydrofuran-2-Yl]butyl Laurate | Ligand Info | |||||
| Structure Description | Crystal structure of uPA in complex with a camelid-derived antibody fragment | PDB:5HGG | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | Yes | [39] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .TWN or .TWN2 or .TWN3 or :3TWN;style chemicals stick;color identity;select .A:146 or .A:147 or .A:149; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Guanidinobenzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of uPA in complex with 4-guanidinobenzoic acid | PDB:7VM5 | ||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [31] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .GBS or .GBS2 or .GBS3 or :3GBS;style chemicals stick;color identity;select .U:57 or .U:172 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:194 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
3.574
TYR172
4.481
ASP189
2.742
SER190
2.713
CYS191
3.784
GLN192
3.589
GLY193
4.012
ASP194
4.730
SER195
1.966
VAL213
3.669
SER214
3.455
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2-[(7-Carbamimidoyl-2-Methoxynaphthalen-1-Yl)oxy]acetamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Urokinase | PDB:4FU7 | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [40] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV30 CGGSLISPCW40 VISATHCFID50 YPKKEDYIVY 60 LGRSRLNSNT70 QGEMKFEVEN80 LILHKDYSAD90 TLAHHNDIAL100 LKIRSKEGRC 110 AQPSRTIQTI120 ALPSMYNDPQ130 FGTSCEITGF140 GKEQSTDYLY150 PEQLKMTVVK 160 LISHRECQQP170 HYYGSEVTTK180 MLCAADPQWK190 TDSCQGDSGG200 PLVCSLQGRM 210 TLTGIVSWGR220 GCALKDKPGV230 YTRVSHFLPW240 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1UP or .1UP2 or .1UP3 or :31UP;style chemicals stick;color identity;select .A:46 or .A:192 or .A:193 or .A:194 or .A:195 or .A:198 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:227 or .A:228 or .A:229 or .A:230 or .A:231; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-(1,2,3,4-Tetrahydroisoquinolin-6-Ylethynyl)naphthalene-2-Carboximidamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Urokinase | PDB:4FUE | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [41] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV30 CGGSLISPCW40 VISATHCFID50 YPKKEDYIVY 60 LGRSRLNSNT70 QGEMKFEVEN80 LILHKDYSAD90 TLAHHNDIAL100 LKIRSKEGRC 110 AQPSRTIQTI120 ALPSMYNDPQ130 FGTSCEITGF140 GKEQSTDYLY150 PEQLKMTVVK 160 LISHRECQQP170 HYYGSEVTTK180 MLCAADPQWK190 TDSCQGDSGG200 PLVCSLQGRM 210 TLTGIVSWGR220 GCALKDKPGV230 YTRVSHFLPW240 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .7UP or .7UP2 or .7UP3 or :37UP;style chemicals stick;color identity;select .A:46 or .A:47 or .A:49 or .A:50 or .A:87 or .A:94 or .A:192 or .A:193 or .A:194 or .A:195 or .A:198 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:227 or .A:228 or .A:229 or .A:230 or .A:231; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS46
2.580
CYS47
4.369
ILE49
3.716
ASP50
2.758
TYR87
4.562
HIS94
3.567
ASP192
2.041
SER193
2.847
CYS194
3.975
GLN195
3.054
SER198
2.418
VAL216
3.252
|
|||||
| Ligand Name: 8-(3-Bromopropoxy)-7-Methoxynaphthalene-2-Carboximidamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Urokinase | PDB:4FUF | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [42] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV30 CGGSLISPCW40 VISATHCFID50 YPKKEDYIVY 60 LGRSRLNSNT70 QGEMKFEVEN80 LILHKDYSAD90 TLAHHNDIAL100 LKIRSKEGRC 110 AQPSRTIQTI120 ALPSMYNDPQ130 FGTSCEITGF140 GKEQSTDYLY150 PEQLKMTVVK 160 LISHRECQQP170 HYYGSEVTTK180 MLCAADPQWK190 TDSCQGDSGG200 PLVCSLQGRM 210 TLTGIVSWGR220 GCALKDKPGV230 YTRVSHFLPW240 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .8UP or .8UP2 or .8UP3 or :38UP;style chemicals stick;color identity;select .A:46 or .A:142 or .A:145 or .A:192 or .A:193 or .A:194 or .A:195 or .A:198 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:227 or .A:228 or .A:229 or .A:230 or .A:231; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS46
3.586
LYS142
3.769
SER145
3.454
ASP192
2.122
SER193
2.820
CYS194
3.767
GLN195
2.960
SER198
2.491
VAL216
3.104
SER217
2.738
TRP218
2.993
|
|||||
| Ligand Name: 8-Aminonaphthalene-2-Carboximidamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Urokinase | PDB:4FUD | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [43] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV30 CGGSLISPCW40 VISATHCFID50 YPKKEDYIVY 60 LGRSRLNSNT70 QGEMKFEVEN80 LILHKDYSAD90 TLAHHNDIAL100 LKIRSKEGRC 110 AQPSRTIQTI120 ALPSMYNDPQ130 FGTSCEITGF140 GKEQSTDYLY150 PEQLKMTVVK 160 LISHRECQQP170 HYYGSEVTTK180 MLCAADPQWK190 TDSCQGDSGG200 PLVCSLQGRM 210 TLTGIVSWGR220 GCALKDKPGV230 YTRVSHFLPW240 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .6UP or .6UP2 or .6UP3 or :36UP;style chemicals stick;color identity;select .A:46 or .A:192 or .A:193 or .A:194 or .A:195 or .A:198 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:227 or .A:228 or .A:229 or .A:230 or .A:231; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 5-Nitro-1h-Indole-2-Carboximidamide | Ligand Info | |||||
| Structure Description | The complex crystal Structure of Urokianse and 5-nitro-1H-indole-2-amidine | PDB:3MWI | ||||
| Method | X-ray diffraction | Resolution | 2.03 Å | Mutation | Yes | [44] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKENSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B25 or .B252 or .B253 or :3B25;style chemicals stick;color identity;select .U:57 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:219 or .U:220 or .U:225 or .U:226 or .U:227 or .U:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-{(E)-2-[3-(2-Hydroxyethyl)phenyl]ethenyl}naphthalene-2-Carboximidamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Urokinase | PDB:4FUJ | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [45] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV30 CGGSLISPCW40 VISATHCFID50 YPKKEDYIVY 60 LGRSRLNSNT70 QGEMKFEVEN80 LILHKDYSAD90 TLAHHNDIAL100 LKIRSKEGRC 110 AQPSRTIQTI120 ALPSMYNDPQ130 FGTSCEITGF140 GKEQSTDYLY150 PEQLKMTVVK 160 LISHRECQQP170 HYYGSEVTTK180 MLCAADPQWK190 TDSCQGDSGG200 PLVCSLQGRM 210 TLTGIVSWGR220 GCALKDKPGV230 YTRVSHFLPW240 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .1U9 or .1U92 or .1U93 or :31U9;style chemicals stick;color identity;select .A:46 or .A:150 or .A:173 or .A:192 or .A:193 or .A:194 or .A:195 or .A:198 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:227 or .A:228 or .A:229 or .A:230 or .A:231; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS46
3.201
TYR150
4.155
TYR173
4.923
ASP192
2.078
SER193
2.672
CYS194
3.995
GLN195
2.979
SER198
2.452
VAL216
3.298
SER217
3.196
TRP218
3.288
|
|||||
| Ligand Name: Naphthalene-2-carboximidamide | Ligand Info | |||||
| Structure Description | Crystal Structure of the Urokinase | PDB:4FU8 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [46] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV30 CGGSLISPCW40 VISATHCFID50 YPKKEDYIVY 60 LGRSRLNSNT70 QGEMKFEVEN80 LILHKDYSAD90 TLAHHNDIAL100 LKIRSKEGRC 110 AQPSRTIQTI120 ALPSMYNDPQ130 FGTSCEITGF140 GKEQSTDYLY150 PEQLKMTVVK 160 LISHRECQQP170 HYYGSEVTTK180 MLCAADPQWK190 TDSCQGDSGG200 PLVCSLQGRM 210 TLTGIVSWGR220 GCALKDKPGV230 YTRVSHFLPW240 IRSHTK
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .2UP or .2UP2 or .2UP3 or :32UP;style chemicals stick;color identity;select .A:46 or .A:192 or .A:193 or .A:194 or .A:195 or .A:198 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:223 or .A:227 or .A:228 or .A:229 or .A:230 or .A:231; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 4-Iodobenzylamine | Ligand Info | |||||
| Structure Description | The crystal structure of uPA in complex with 4-Iodobenzylamine at pH7.4 | PDB:5Z1C | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | Yes | [35] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZXI or .ZXI2 or .ZXI3 or :3ZXI;style chemicals stick;color identity;select .U:57 or .U:189 or .U:190 or .U:191 or .U:192 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:219 or .U:220 or .U:225 or .U:226 or .U:227; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 1,3,5-Tris(bromomethyl)benzene | Ligand Info | |||||
| Structure Description | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK749 | PDB:4MNW | ||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | Yes | [47] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ZBR or .ZBR2 or .ZBR3 or :3ZBR;style chemicals stick;color identity;select .A:192; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6-[N-(4-(Aminomethyl)phenyl)carbamyl]-2-naphthalenecarboxamidine | Ligand Info | |||||
| Structure Description | Substituted 2-Naphthamidine Inhibitors of Urokinase | PDB:1OWH | ||||
| Method | X-ray diffraction | Resolution | 1.61 Å | Mutation | No | [16] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV32 CGGSLMSPCW48 VISATHCFID58 YPKKEDYIVY 70 LGRSRLNSNT82 QGEMKFEVEN92 LILHKDYSAD102 TLAHHNDIAL112 LKIRSKEGRC 122 AQPSRTIQTI132 CLPSMYNDPQ142 FGTSCEITGF152 GKEQSTDYLY162 PEQLKMTVVK 173 LISHRECQQP183 HYYGSEVTTK193 MLCAADPQWK203 TDSCQGDSGG213 PLVCSLQGRM 223 TLTGIVSWGR233 GCALKDKPGV243 YTRVSHFLPW253 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .239 or .2392 or .2393 or :3239;style chemicals stick;color identity;select .A:54 or .A:57 or .A:58 or .A:99 or .A:106 or .A:205 or .A:206 or .A:207 or .A:208 or .A:211 or .A:229 or .A:230 or .A:231 or .A:232 or .A:233 or .A:234 or .A:235 or .A:236 or .A:240 or .A:241 or .A:242 or .A:243 or .A:244; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS54
3.252
ILE57
4.846
ASP58
3.391
TYR99
4.840
HIS106
3.600
ASP205
2.939
SER206
2.913
CYS207
3.992
GLN208
2.769
SER211
3.372
VAL229
3.868
SER230
4.047
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: N,N',N''-Benzene-1,3,5-Triyltris(2-Bromoacetamide) | Ligand Info | |||||
| Structure Description | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK903 | PDB:4MNY | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [47] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .29O or .29O2 or .29O3 or :329O;style chemicals stick;color identity;select .A:143 or .A:146 or .A:147 or .A:148 or .A:149 or .A:191 or .A:192 or .A:217 or .A:218 or .A:220; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 2-(2-Hydroxy-phenyl)-1h-benzoimidazole-5-carboxamidine | Ligand Info | |||||
| Structure Description | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | PDB:1GI8 | ||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [48] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .BMZ or .BMZ2 or .BMZ3 or :3BMZ;style chemicals stick;color identity;select .B:42 or .B:57 or .B:58 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:196 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:225 or .B:226 or .B:227 or .B:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
CYS42
4.613
HIS57
1.747
CYS58
4.314
ASP189
3.308
SER190
2.488
CYS191
3.065
GLN192
2.294
GLY193
3.216
ASP194
3.566
SER195
1.192
GLY196
4.749
VAL213
1.971
|
|||||
| Ligand Name: 2-(2-Oxo-1,2-dihydro-pyridin-3-yl)-1h-benzoimidazole-5-carboxamidine | Ligand Info | |||||
| Structure Description | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | PDB:1GI7 | ||||
| Method | X-ray diffraction | Resolution | 1.79 Å | Mutation | Yes | [48] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .120 or .1202 or .1203 or :3120;style chemicals stick;color identity;select .B:57 or .B:99 or .B:143 or .B:172 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:222 or .B:224 or .B:225 or .B:226 or .B:227 or .B:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
3.553
HIS99
4.697
LYS143
4.956
TYR172
4.541
ASP189
2.256
SER190
2.045
CYS191
2.992
GLN192
2.574
GLY193
3.740
ASP194
4.272
SER195
2.473
VAL213
2.466
SER214
3.667
|
|||||
| Ligand Name: 2-(2-Hydroxy-5-methoxy-phenyl)-1h-benzoimidazole-5-carboxamidine | Ligand Info | |||||
| Structure Description | A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | PDB:1GI9 | ||||
| Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [48] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLMSPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 CLPSMYNDPQ131 FGTSCEITGF141 GKEASTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .123 or .1232 or .1233 or :3123;style chemicals stick;color identity;select .B:42 or .B:57 or .B:58 or .B:143 or .B:189 or .B:190 or .B:191 or .B:192 or .B:193 or .B:194 or .B:195 or .B:196 or .B:213 or .B:214 or .B:215 or .B:216 or .B:217 or .B:219 or .B:220 or .B:221 or .B:225 or .B:226 or .B:227 or .B:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
CYS42
4.737
HIS57
1.667
CYS58
4.146
LYS143
4.848
ASP189
3.359
SER190
2.620
CYS191
3.085
GLN192
2.371
GLY193
3.140
ASP194
3.521
SER195
1.217
GLY196
4.897
|
|||||
| Ligand Name: 8-(Pyrimidin-2-ylamino)naphthalene-2-carboximidamide | Ligand Info | |||||
| Structure Description | Substituted 2-Naphthamidine Inhibitors of Urokinase | PDB:1SQO | ||||
| Method | X-ray diffraction | Resolution | 1.84 Å | Mutation | No | [49] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV32 CGGSLMSPCW48 VISATHCFID58 YPKKEDYIVY 70 LGRSRLNSNT82 QGEMKFEVEN92 LILHKDYSAD102 TLAHHNDIAL112 LKIRSKEGRC 122 AQPSRTIQTI132 CLPSMYNDPQ142 FGTSCEITGF152 GKEQSTDYLY162 PEQLKMTVVK 173 LISHRECQQP183 HYYGSEVTTK193 MLCAADPQWK203 TDSCQGDSGG213 PLVCSLQGRM 223 TLTGIVSWGR233 GCALKDKPGV243 YTRVSHFLPW253 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UI2 or .UI22 or .UI23 or :3UI2;style chemicals stick;color identity;select .A:154 or .A:157 or .A:205 or .A:206 or .A:207 or .A:208 or .A:211 or .A:229 or .A:230 or .A:231 or .A:232 or .A:233 or .A:234 or .A:235 or .A:236 or .A:240 or .A:241 or .A:242 or .A:244; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: Hexahydro-1,3,5-tripropionyl-S-triazine | Ligand Info | |||||
| Structure Description | Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK811 | PDB:4MNX | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [47] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .29N or .29N2 or .29N3 or :329N;style chemicals stick;color identity;select .A:97A; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3,5-diamino-N-carbamimidoyl-6-(1-methyl-1H-pyrazol-4-yl)pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | The crystal structure of uPA in complex with HMA-55F | PDB:6AG7 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [50] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H55 or .H552 or .H553 or :3H55;style chemicals stick;color identity;select .U:172 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:194 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
TYR172
4.882
ASP189
2.916
SER190
2.855
CYS191
3.845
GLN192
3.510
GLY193
4.903
ASP194
4.953
SER195
2.987
VAL213
3.590
SER214
3.810
|
|||||
| Ligand Name: 7-Methoxy-8-[1-(methylsulfonyl)-1H-pyrazol-4-YL]naphthalene-2-carboximidamide | Ligand Info | |||||
| Structure Description | Substituted 2-Naphthamidine Inhibitors of Urokinase | PDB:1SQT | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [49] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV29 CGGSLMSPCW39 VISATHCFID49 YPKKEDYIVY 59 LGRSRLNSNT69 QGEMKFEVEN79 LILHKDYSAD89 TLAHHNDIAL99 LKIRSKEGRC 109 AQPSRTIQTI119 CLPSMYNDPQ129 FGTSCEITGF139 GKENSTDYLY149 PEQLKMTVVK 159 LISHRECQQP169 HYYGSEVTTK179 MLCAADPQWK189 TDSCQGDSGG199 PLVCSLQGRM 209 TLTGIVSWGR219 GCALKDKPGV229 YTRVSHFLPW239 IRSHT
|
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|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UI3 or .UI32 or .UI33 or :3UI3;style chemicals stick;color identity;select .A:45 or .A:141 or .A:144 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:227 or .A:228 or .A:229 or .A:230; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS45
4.657
LYS141
3.580
SER144
3.409
ASP191
2.891
SER192
2.920
CYS193
3.771
GLN194
3.553
SER197
3.198
VAL215
3.859
SER216
3.909
|
|||||
| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 6-[(Z)-Amino(imino)methyl]-N-[4-(aminomethyl)phenyl]-4-(pyrimidin-2-ylamino)-2-naphthamide | Ligand Info | |||||
| Structure Description | Substituted 2-Naphthamidine Inhibitors of Urokinase | PDB:1SQA | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [49] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV32 CGGSLMSPCW48 VISATHCFID58 YPKKEDYIVY 70 LGRSRLNSNT82 QGEMKFEVEN92 LILHKDYSAD102 TLAHHNDIAL112 LKIRSKEGRC 122 AQPSRTIQTI132 CLPSMYNDPQ142 FGTSCEITGF152 GKEQSTDYLY162 PEQLKMTVVK 173 LISHRECQQP183 HYYGSEVTTK193 MLCAADPQWK203 TDSCQGDSGG213 PLVCSLQGRM 223 TLTGIVSWGR233 GCALKDKPGV243 YTRVSHFLPW253 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .UI1 or .UI12 or .UI13 or :3UI1;style chemicals stick;color identity;select .A:54 or .A:58 or .A:106 or .A:154 or .A:157 or .A:205 or .A:206 or .A:207 or .A:208 or .A:211 or .A:229 or .A:230 or .A:231 or .A:232 or .A:233 or .A:234 or .A:235 or .A:236 or .A:241 or .A:242 or .A:243 or .A:244; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS54
3.210
ASP58
3.694
HIS106
3.578
LYS154
4.625
SER157
3.902
ASP205
2.742
SER206
2.988
CYS207
3.654
GLN208
3.287
SER211
3.459
VAL229
3.924
|
|||||
| Ligand Name: trans-6-(2-Phenylcyclopropyl)-naphthalene-2-carboxamidine | Ligand Info | |||||
| Structure Description | Substituted 2-Naphthamadine inhibitors of Urokinase | PDB:1U6Q | ||||
| Method | X-ray diffraction | Resolution | 2.02 Å | Mutation | No | [51] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV29 CGGSLMSPCW39 VISATHCFID49 YPKKEDYIVY 59 LGRSRLNSNT69 QGEMKFEVEN79 LILHKDYSAD89 TLAHHNDIAL99 LKIRSKEGRC 109 AQPSRTIQTI119 CLPSMYNDPQ129 FGTSCEITGF139 GKENSTDYLY149 PEQLKMTVVK 159 LISHRECQQP169 HYYGSEVTTK179 MLCAADPQWK189 TDSCQGDSGG199 PLVCSLQGRM 209 TLTGIVSWGR219 GCALKDKPGV229 YTRVSHFLPW239 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .745 or .7452 or .7453 or :3745;style chemicals stick;color identity;select .A:45 or .A:93 or .A:191 or .A:192 or .A:193 or .A:194 or .A:195 or .A:197 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:226 or .A:227 or .A:228 or .A:229 or .A:230; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS45
3.675
HIS93
3.555
ASP191
2.838
SER192
2.451
CYS193
4.290
GLN194
3.295
GLY195
4.348
SER197
3.043
VAL215
3.889
SER216
4.277
TRP217
3.830
|
|||||
| Ligand Name: D-2-Aminobutyric acid | Ligand Info | |||||
| Structure Description | Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Aba) | PDB:4JK6 | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | Yes | [5] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DBB or .DBB2 or .DBB3 or :3DBB;style chemicals stick;color identity;select .A:146 or .A:191 or .A:192 or .A:216 or .A:218 or .A:220; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-[N-(4-Ethyl-1,2,3,4-tetrahydro-6-isoquinolinyl)carbamyl]-2-naphthalenecarboxamidine | Ligand Info | |||||
| Structure Description | Substituted 2-Naphthamidine inhibitors of urokinase | PDB:1OWD | ||||
| Method | X-ray diffraction | Resolution | 2.32 Å | Mutation | No | [16] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV29 CGGSLMSPCW39 VISATHCFID49 YPKKEDYIVY 59 LGRSRLNSNT69 QGEMKFEVEN79 LILHKDYSAD89 TLAHHNDIAL99 LKIRSKEGRC 109 AQPSRTIQTI119 CLPSMYNDPQ129 FGTSCEITGF139 GKENSTDYLY149 PEQLKMTVVK 159 LISHRECQQP169 HYYGSEVTTK179 MLCAADPQWK189 TDSCQGDSGG199 PLVCSLQGRM 209 TLTGIVSWGR219 GCALKDKPGV229 YTRVSHFLPW239 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .497 or .4972 or .4973 or :3497;style chemicals stick;color identity;select .A:45 or .A:49 or .A:93 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:226 or .A:227 or .A:228 or .A:230; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-[N-(1-Isopropyl-1,2,3,4-tetrahydro-7-isoquinolinyl)carbamyl]-2-naphthalenecarboxamidine | Ligand Info | |||||
| Structure Description | Substituted 2-Naphthamidine Inhibitors of Urokinase | PDB:1OWK | ||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [16] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV29 CGGSLMSPCW39 VISATHCFID49 YPKKEDYIVY 59 LGRSRLNSNT69 QGEMKFEVEN79 LILHKDYSAD89 TLAHHNDIAL99 LKIRSKEGRC 109 AQPSRTIQTI119 CLPSMYNDPQ129 FGTSCEITGF139 GKENSTDYLY149 PEQLKMTVVK 159 LISHRECQQP169 HYYGSEVTTK179 MLCAADPQWK189 TDSCQGDSGG199 PLVCSLQGRM 209 TLTGIVSWGR219 GCALKDKPGV229 YTRVSHFLPW239 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .303 or .3032 or .3033 or :3303;style chemicals stick;color identity;select .A:45 or .A:48 or .A:49 or .A:86 or .A:93 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:215 or .A:216 or .A:217 or .A:218 or .A:220 or .A:221 or .A:222 or .A:227 or .A:228 or .A:230; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 6-[(Z)-Amino(imino)methyl]-N-[3-(cyclopentyloxy)phenyl]-2-naphthamide | Ligand Info | |||||
| Structure Description | Substituted 2-Naphthamidine Inhibitors of Urokinase | PDB:1OWI | ||||
| Method | X-ray diffraction | Resolution | 2.93 Å | Mutation | No | [16] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV29 CGGSLMSPCW39 VISATHCFID49 YPKKEDYIVY 59 LGRSRLNSNT69 QGEMKFEVEN79 LILHKDYSAD89 TLAHHNDIAL99 LKIRSKEGRC 109 AQPSRTIQTI119 CLPSMYNDPQ129 FGTSCEITGF139 GKENSTDYLY149 PEQLKMTVVK 159 LISHRECQQP169 HYYGSEVTTK179 MLCAADPQWK189 TDSCQGDSGG199 PLVCSLQGRM 209 TLTGIVSWGR219 GCALKDKPGV229 YTRVSHFLPW239 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .426 or .4262 or .4263 or :3426;style chemicals stick;color identity;select .A:45 or .A:48 or .A:49 or .A:86 or .A:88 or .A:93 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:222 or .A:226 or .A:227 or .A:228 or .A:230; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS45
3.361
ILE48
4.189
ASP49
4.111
TYR86
3.121
ALA88
3.180
HIS93
3.780
ASP191
2.939
SER192
2.738
CYS193
3.914
GLN194
3.091
SER197
3.343
VAL215
3.923
|
|||||
| Ligand Name: 6-[N-(1-Isopropyl-3,4-dihydro-7-isoquinolinyl)carbamyl]-2-naphthalenecarboxamidine | Ligand Info | |||||
| Structure Description | Substituted 2-Naphthamidine Inhibitors of Urokinase | PDB:1OWJ | ||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | No | [16] |
| PDB Sequence |
IIGGEFTTIE
10 NQPWFAAIYR20 RHRGGSVTYV29 CGGSLMSPCW39 VISATHCFID49 YPKKEDYIVY 59 LGRSRLNSNT69 QGEMKFEVEN79 LILHKDYSAD89 TLAHHNDIAL99 LKIRSKEGRC 109 AQPSRTIQTI119 CLPSMYNDPQ129 FGTSCEITGF139 GKENSTDYLY149 PEQLKMTVVK 159 LISHRECQQP169 HYYGSEVTTK179 MLCAADPQWK189 TDSCQGDSGG199 PLVCSLQGRM 209 TLTGIVSWGR219 GCALKDKPGV229 YTRVSHFLPW239 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .155 or .1552 or .1553 or :3155;style chemicals stick;color identity;select .A:45 or .A:48 or .A:49 or .A:86 or .A:93 or .A:191 or .A:192 or .A:193 or .A:194 or .A:197 or .A:215 or .A:216 or .A:217 or .A:218 or .A:219 or .A:220 or .A:221 or .A:226 or .A:227 or .A:228 or .A:230; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS45
3.386
ILE48
4.370
ASP49
3.293
TYR86
4.867
HIS93
3.566
ASP191
3.062
SER192
3.021
CYS193
4.000
GLN194
3.453
SER197
3.204
VAL215
3.846
|
|||||
| Ligand Name: alpha-L-Fucose | Ligand Info | |||||
| Structure Description | SOLUTION STRUCTURE OF THE AMINO TERMINAL FRAGMENT OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR | PDB:1URK | ||||
| Method | Solution NMR | Resolution | N.A. | Mutation | No | [52] |
| PDB Sequence |
QVPSNCDCLN
15 GGTCVSNKYF25 SNIHWCNCPK35 KFGGQHCEID45 KSKTCYEGNG55 HFYRGKASTD 65 TMGRPCLPWN75 SATVLQQTYH85 AHRSDALQLG95 LGKHNYCRNP105 DNRRRPWCYV 115 QVGLKPLVQE125 CMVHDCADGK135
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FUC or .FUC2 or .FUC3 or :3FUC;style chemicals stick;color identity;select .A:16 or .A:17 or .A:18 or .A:19 or .A:32; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
||||||
| Ligand Name: 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(4-fluoranyl-1-benzofuran-2-yl)pyrazine-2-carboxamide | Ligand Info | |||||
| Structure Description | uPA-NU-09F | PDB:5ZC5 | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [7] |
| PDB Sequence |
IIGGEFTTIE
25 NQPWFAAIYR35 RHRGGSVTYV41 CGGSLISPCW51 VISATHCFID60A YPKKEDYIVY 67 LGRSRLNSNT77 QGEMKFEVEN87 LILHKDYSAD97 TLAHHNDIAL105 LKIRSKEGRC 111 AQPSRTIQTI121 ALPSMYNDPQ131 FGTSCEITGF141 GKEQSTDYLY151 PEQLKMTVVK 161 LISHRECQQP170A HYYGSEVTTK179 MLCAADPQWK187 TDSCQGDSGG197 PLVCSLQGRM 207 TLTGIVSWGR217 GCALKDKPGV227 YTRVSHFLPW237 IRSHT
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .09I or .09I2 or .09I3 or :309I;style chemicals stick;color identity;select .U:57 or .U:99 or .U:143 or .U:146 or .U:172 or .U:189 or .U:190 or .U:191 or .U:192 or .U:193 or .U:195 or .U:213 or .U:214 or .U:215 or .U:216 or .U:217 or .U:219 or .U:220 or .U:221 or .U:224 or .U:225 or .U:226 or .U:227; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS57
3.686
HIS99
4.716
LYS143
4.850
SER146
3.343
TYR172
4.819
ASP189
2.969
SER190
2.839
CYS191
3.707
GLN192
3.372
GLY193
4.890
SER195
3.174
VAL213
3.760
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Tranexamic acid is an active site inhibitor of urokinase plasminogen activator. Blood Adv. 2019 Mar 12;3(5):729-733. | ||||
| REF 2 | Cleavage of peptidic inhibitors by target protease is caused by peptide conformational transition. Biochim Biophys Acta Gen Subj. 2018 Sep;1862(9):2017-2023. | ||||
| REF 3 | Crystals of the urokinase type plasminogen activator variant beta(c)-uPAin complex with small molecule inhibitors open the way towards structure-based drug design. J Mol Biol. 2000 Aug 11;301(2):465-75. | ||||
| REF 4 | A structural mechanism of flavonoids in inhibiting serine proteases. Food Funct. 2017 Jul 19;8(7):2437-2443. | ||||
| REF 5 | Improving binding affinity and stability of peptide ligands by substituting glycines with D-amino acids. Chembiochem. 2013 Jul 22;14(11):1316-22. | ||||
| REF 6 | Design of novel and selective inhibitors of urokinase-type plasminogen activator with improved pharmacokinetic properties for use as antimetastatic agents. J Biol Chem. 2004 Aug 6;279(32):33613-22. | ||||
| REF 7 | 6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer. J Med Chem. 2018 Sep 27;61(18):8299-8320. | ||||
| REF 8 | Structural basis for selectivity of a small molecule, S1-binding, submicromolar inhibitor of urokinase-type plasminogen activator. Chem Biol. 2000 Apr;7(4):299-312. | ||||
| REF 9 | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors | ||||
| REF 10 | (4-aminomethyl)phenylguanidine derivatives as nonpeptidic highly selective inhibitors of human urokinase. Proc Natl Acad Sci U S A. 2000 May 9;97(10):5113-8. | ||||
| REF 11 | Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors. J Mol Biol. 2003 May 23;329(1):93-120. | ||||
| REF 12 | Fragment-based discovery of mexiletine derivatives as orally bioavailable inhibitors of urokinase-type plasminogen activator. J Med Chem. 2008 Jan 24;51(2):183-6. | ||||
| REF 13 | Geometry of GPPE binding to picrate and to the urokinase type plasminogen activator. Bioorg Med Chem Lett. 2007 Nov 15;17(22):6212-5. | ||||
| REF 14 | Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol | ||||
| REF 15 | Distinctive binding modes and inhibitory mechanisms of two peptidic inhibitors of urokinase-type plasminogen activator with isomeric P1 residues. Int J Biochem Cell Biol. 2015 May;62:88-92. | ||||
| REF 16 | Identification of novel binding interactions in the development of potent, selective 2-naphthamidine inhibitors of urokinase. Synthesis, structural analysis, and SAR of N-phenyl amide 6-substitution. J Med Chem. 2004 Jan 15;47(2):303-24. | ||||
| REF 17 | Identification of novel inhibitors of urokinase via NMR-based screening. J Med Chem. 2000 Oct 19;43(21):3862-6. | ||||
| REF 18 | Selective urokinase-type plasminogen activator inhibitors. 4. 1-(7-sulfonamidoisoquinolinyl)guanidines. J Med Chem. 2007 May 17;50(10):2341-51. | ||||
| REF 19 | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem Biol. 2001 Nov;8(11):1107-21. | ||||
| REF 20 | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). J Mol Biol. 2004 Nov 19;344(2):527-47. | ||||
| REF 21 | uPA-HMA | ||||
| REF 22 | uPA-HMA | ||||
| REF 23 | Identification of orally bioavailable, non-amidine inhibitors of Urokinase Plasminogen Activator (uPA). Bioorg Med Chem Lett. 2009 Oct 1;19(19):5712-5. | ||||
| REF 24 | Crystal Structure and Binding Epitopes of Urokinase-type Plasminogen Activator (C122A/N145Q/S195A) in complex with Inhibitors | ||||
| REF 25 | Crystal structure of uPA-S195A in complex with S2444 | ||||
| REF 26 | Crystal structure of uPA in complex with S2444 | ||||
| REF 27 | Crystal Structures of Urokinase-type Plasminogen Activator in Complex with 4-(Aminomethyl) Benzoic Acid and 4-(Aminomethyl-phenyl)-methanol | ||||
| REF 28 | uPA-HMA | ||||
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| REF 30 | Crystal Structures of 2-Aminobenzothiazole-based Inhibitors in Complexes with Urokinase-type Plasminogen Activator | ||||
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