Binding Site Information of Target
Target General Information | Top | ||||
---|---|---|---|---|---|
Target ID | T73471 | Target Info | |||
Target Name | Serine protease hepsin (HPN) | ||||
Synonyms | Transmembrane protease, serine 1; HPN; HEPSIN | ||||
Target Type | Patented-recorded Target | ||||
Gene Name | HPN | ||||
Biochemical Class | Peptidase | ||||
UniProt ID |
Drug Binding Sites of Target | Top | |||||
---|---|---|---|---|---|---|
Ligand Name: CRA-1144 | Ligand Info | |||||
Structure Description | Extracellular domain of human hepsin | PDB:1P57 | ||||
Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [1] |
PDB Sequence |
IVGGRDTSLG
25 RWPWQVSLRY35 DGAHLCGGSL46 LSGDWVLTAA56 HCFPERNRVL65A SRWRVFAGAV 71 AQASPHGLQL83 GVQAVVYHGG93 YLPFNSNDIA104 LVHLSSPLPL114 TEYIQPVCLP 124 AAGQALVDGK134 ICTVTGWGNT144 QYYGQQAGVL155 QEARVPIISN165 DVCNGADFYG 175 NQIKPKMFCA183 GYPEGGIDAC191 QGDSGGPFVC201 EDSISRTPRW208C RLCGIVSWGT 217 GCALAQKPGV227 YTKVSDFREW237 IFQAIKTHSE247 ASGMVTQ
|
|||||
|
HIS57
1.719
CYS58
4.868
TYR146
4.450
TYR174
4.939
ASP189
2.240
ALA190
2.316
CYS191
3.004
GLN192
2.559
GLY193
3.456
ASP194
3.461
SER195
0.823
GLY196
4.823
VAL213
2.045
|
|||||
Ligand Name: 2-[6-(1-Hydroxycyclohexyl)pyridin-2-Yl]-1h-Indole-5-Carboximidamide | Ligand Info | |||||
Structure Description | Crystal Structure of Serine protease Hepsin in complex with Inhibitor | PDB:5CE1 | ||||
Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [2] |
PDB Sequence |
EPLYPVQVSS
58 ADARLMVFDK68 TEGTWRLLCS78 SRSNARVAGL88 SCEEMGFLRA98 LTHSELDVRT 108 AGANGTSGFF118 CVDEGRLPHT128 QRLLEVISVC138 DCPRGRFLAA148 ICQDCGRRKL 158 IVGGRDTSLG172 RWPWQVSLRY182 DGAHLCGGSL192 LSGDWVLTAA202 HCFPERNRVL 212 SRWRVFAGAV222 AQASGLQLGV234 QAVVYHGGYL244 PFRPNSENSN256 DIALVHLSSP 266 LPLTEYIQPV276 CLPAAGQALV286 DGKICTVTGW296 GNTQYYGQQA306 GVLQEARVPI 316 ISNDVCNGAD326 FYGNQIKPKM336 FCAGYPEGGI346 DACQGDSGGP356 FVCEDSISRT 366 PRWRLCGIVS376 WGTGCALAQK386 PGVYTKVSDF396 REWIFQAIKT406 HSEASGMVTQ 416 L
|
|||||
|
LEU187
3.494
CYS188
4.070
HIS203
2.840
CYS204
4.782
TYR301
3.907
ASP347
2.553
ALA348
3.184
CYS349
4.065
GLN350
3.693
GLY351
4.455
SER353
3.392
VAL375
3.608
|
|||||
Ligand Name: 6-Chloro-2-(2-hydroxy-biphenyl-3-YL)-1H-indole-5-carboxamidine | Ligand Info | |||||
Structure Description | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | PDB:1O5E | ||||
Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [3] |
PDB Sequence |
IVGGRDTSLG
25 RWPWQVSLRY35 DGAHLCGGSL46 LSGDWVLTAA56 HCFPERNRVL65A SRWRVFAGAV 71 AQASPHGLQL83 GVQAVVYHGG93 YLPFNSNDIA104 LVHLSSPLPL114 TEYIQPVCLP 124 AAGQALVDGK134 ICTVTGWGNT144 QYYGQQAGVL155 QEARVPIISN165 DVCNGADFYG 175 NQIKPKMFCA183 GYPEGGIDAC191 QGDSGGPFVC201 EDSISRTPRW208C RLCGIVSWGT 217 GCALAQKPGV227 YTKVSDFREW237 IFQAIKTHSE247 ASGMVTQL
|
|||||
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 .H:41 or .H:42 or .H:57 or .H:58 or .H:59 or .H:60 or .H:65D or .H:146 or .H:174 or .H:189 or .H:190 or .H:191 or .H:192 or .H:193 or .H:194 or .H:195 or .H:213 or .H:214 or .H:215 or .H:216 or .H:217 or .H:219 or .H:220 or .H:221 or .H:221A or .H:224 or .H:225 or .H:226 or .H:227 or .H:228; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU41
2.561
CYS42
2.504
HIS57
1.658
CYS58
2.173
PHE59
4.442
PRO60
2.832
TRP65D
4.169
TYR146
3.604
TYR174
4.248
ASP189
2.140
ALA190
2.953
CYS191
2.872
GLN192
2.588
GLY193
3.422
ASP194
4.735
|
|||||
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:1O5F | ||||
Method | X-ray diffraction | Resolution | 1.78 Å | Mutation | Yes | [3] |
PDB Sequence |
IVGGRDTSLG
25 RWPWQVSLRY35 DGAHLCGGSL46 LSGDWVLTAA56 HCFPERNRVL65A SRWRVFAGAV 71 AQASPHGLQL83 GVQAVVYHGG93 YLPFNSNDIA104 LVHLSSPLPL114 TEYIQPVCLP 124 AAGQALVDGK134 ICTVTGWGNT144 QYYGQQAGVL155 QEARVPIISN165 DVCNGADFYG 175 NQIKPKMFCA183 GYPEGGIDAC191 QGDSGGPFVC201 EDSISRTPRW208C RLCGIVSWGT 217 GCALAQKPGV227 YTKVSDFREW237 IFQAIKTHSE247 ASGMVTQL
|
|||||
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 .H:41 or .H:42 or .H:57 or .H:58 or .H:59 or .H:60 or .H:63 or .H:65D or .H:146 or .H:174 or .H:189 or .H:190 or .H:191 or .H:192 or .H:193 or .H:194 or .H:195 or .H:196 or .H:213 or .H:214 or .H:215 or .H:216 or .H:217 or .H:219 or .H:220 or .H:221 or .H:224 or .H:225 or .H:226 or .H:227 or .H:228; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU41
2.015
CYS42
3.111
HIS57
1.783
CYS58
2.321
PHE59
4.044
PRO60
2.361
ASN63
3.659
TRP65D
3.698
TYR146
4.565
TYR174
4.828
ASP189
2.541
ALA190
2.336
CYS191
3.036
GLN192
2.847
GLY193
3.379
ASP194
3.335
|
References | Top | ||||
---|---|---|---|---|---|
REF 1 | The structure of the extracellular region of human hepsin reveals a serine protease domain and a novel scavenger receptor cysteine-rich (SRCR) domain. Structure. 2003 Sep;11(9):1123-31. | ||||
REF 2 | Crystal Structure of Serine protease Hepsin in complex with Inhibitor | ||||
REF 3 | 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. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.