Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T67339 | Target Info | |||
| Target Name | Channel-activating protease 1 (CAP1) | ||||
| Synonyms | Serine protease 8; Prostasin; CAP1 | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | PRSS8 | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: 1-[4-(Hydroxymethyl)phenyl]guanidine | Ligand Info | |||||
| Structure Description | The Crystal Structure of Prostasin Complexed with Camostat at 1.6 Angstroms Resolution | PDB:3FVF | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
ITGGSSAVAG
25 QWPWQVSITY35 EGVHVCGGSL46 VSEQWVLSAA56 HCFPSEHHKE58H AYEVKLGAHQ 72 LDSYSEDAKV82 STLKDIIPHP92 SYLQEGSQGD102 IALLQLSRPI112 TFSRYIRPIS 122 LPAAQASFPN132 GLHCTVTGWG142 HVAPSVSLLT144H PKPLQQLEVP161 LISRETCNSL 171 YNIDAKPEEP172I HFVQEDMVCA183 GYVEGGKDAC191 QGDSGGPLSC201 PVEGLWYLTG 211 IVSWGDACGA221 RNRPGVYTLA231 SSYASWIQSK241 VTELQPRV
|
|||||
|
|
HIS57
4.440
TYR172
4.033
ASP189
2.829
ALA190
2.770
CYS191
3.372
GLN192
3.316
GLY193
3.503
ASP194
4.022
SER195
1.342
VAL213
3.571
SER214
3.871
|
|||||
| Ligand Name: Benzyl [(1s)-5-Amino-1-{[(1s)-1-({(1s)-5-Amino-1-[(S)-1,3-Benzoxazol-2-Yl(Hydroxy)methyl]pentyl}carbamoyl)-3-Phenylpropyl]carbamoyl}pentyl]carbamate | Ligand Info | |||||
| Structure Description | X-ray structure of human prostasin in complex with Benzoxazole warhead peptidomimic, lysine in P3 | PDB:3E16 | ||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | Yes | [2] |
| PDB Sequence |
ITGGSSAVAG
25 QWPWQVSITY35 EGVHVCGGSL46 VSEQWVLSAA56 HCFPSEHHKE58H AYEVKLGAHQ 72 LDSYSEDAKV82 STLKDIIPHP92 SYLQEGSQGD102 IALLQLSRPI112 TFSRYIRPIS 122 LPAAQASFPN132 GLHCTVTGWG142 HVAPSVSLLT144H PKPLQQLEVP161 LISRETCNSL 171 YNIDAKPEEP172I HFVQEDMVCA183 GYVEGGKDAC191 QGDSGGPLSC201 PVEGLWYLTG 211 IVSWGDACGA221 RNRPGVYTLA231 SSYASWIQSK241 VTELQPR
|
|||||
|
|
VAL41
4.824
CYS42
4.651
HIS57
2.822
TYR94
4.151
GLU97
3.562
GLY98
3.176
ASP102
3.775
PRO172I
3.269
HIS172J
3.345
PHE172K
3.544
ASP189
4.252
ALA190
2.898
CYS191
3.436
|
|||||
| Ligand Name: Benzyl [(1r)-1-({(2s,4r)-2-({(1s)-5-Amino-1-[(S)-1,3-Benzoxazol-2-Yl(Hydroxy)methyl]pentyl}carbamoyl)-4-[(4-Methylbenzyl)oxy]pyrrolidin-1-Yl}carbonyl)-3-Phenylpropyl]carbamate | Ligand Info | |||||
| Structure Description | The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor | PDB:3E0P | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [2] |
| PDB Sequence |
ITGGSSAVAG
25 QWPWQVSITY35 EGVHVCGGSL46 VSEQWVLSAA56 HCFPSEHHKE58H AYEVKLGAHQ 72 LDSYSEDAKV82 STLKDIIPHP92 SYLQEGSQGD102 IALLQLSRPI112 TFSRYIRPIS 122 LPAAQASFPN132 GLHCTVTGWG142 HVAPSVSLLT144H PKPLQQLEVP161 LISRETCNSL 171 YNIDAKPEEP172I HFVQEDMVCA183 GYVEGGKDAC191 QGDSGGPLSC201 PVEGLWYLTG 211 IVSWGDACGA221 RNRPGVYTLA231 SSYASWIQSK241 VTELQP
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .B3C or .B3C2 or .B3C3 or :3B3C;style chemicals stick;color identity;select .B:42 or .B:57 or .B:94 or .B:98 or .B:99 or .B:100 or .B:101 or .B:102 or .B:172I or .B:172J or .B:172K or .B:180 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:219 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
4.940
HIS57
2.808
TYR94
3.721
GLY98
3.488
SER99
3.332
GLN100
3.380
GLY101
4.860
ASP102
3.305
PRO172I
2.784
HIS172J
4.589
PHE172K
4.921
MET180
3.712
ASP189
4.140
ALA190
2.941
|
|||||
| Ligand Name: 4-Guanidinobenzoic acid | Ligand Info | |||||
| Structure Description | Crystal structure of human Prostasin complexed to 4-guanidinobenzoic acid | PDB:3DFL | ||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | Yes | [3] |
| PDB Sequence |
ITGGSSAVAG
54 QWPWQVSITY64 EGVHVCGGSL74 VSEQWVLSAA84 HCFPSEHHKE94 AYEVKLGAHQ 104 LDSYSEDAKV114 STLKDIIPHP124 SYLQEGSQGD134 IALLQLSRPI144 TFSRYIRPIS 154 LPAANASFPN164 GLHCTVTGWG174 HVAPSVSLLT184 PKPLQQLEVP194 LISRETCNAL 204 YNIDAKPEEP214 HFVQEDMVCA224 GYVEGGKDAC234 QGDSGGPLSC244 PVEGLWYLTG 254 IVSWGDACGA264 RNRPGVYTLA274 SSYASWIQSK284 VTELQ
|
|||||
|
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 .A:85 or .A:205 or .A:232 or .A:233 or .A:234 or .A:235 or .A:236 or .A:237 or .A:238 or .A:256 or .A:257 or .A:258 or .A:259 or .A:260 or .A:261 or .A:262 or .A:263 or .A:267 or .A:268 or .A:269 or .A:270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
HIS85
4.876
TYR205
3.891
ASP232
2.626
ALA233
2.854
CYS234
3.417
GLN235
3.411
GLY236
3.517
ASP237
4.133
SER238
1.464
VAL256
3.562
SER257
3.940
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Active site conformational changes of prostasin provide a new mechanism of protease regulation by divalent cations. Protein Sci. 2009 May;18(5):1081-94. | ||||
| REF 2 | Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design. Bioorg Med Chem Lett. 2008 Nov 15;18(22):5895-9. | ||||
| REF 3 | Structure of human prostasin, a target for the regulation of hypertension. J Biol Chem. 2008 Dec 12;283(50):34864-72. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.