Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 4-Guanidinobenzoic acid | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1C(=O)O)N=C(N)N | ||||
| InChI | 1S/C8H9N3O2/c9-8(10)11-6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)(H4,9,10,11) | ||||
| InChIKey | SXTSBZBQQRIYCU-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 159772 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7VM5 Crystal structure of uPA in complex with 4-guanidinobenzoic acid | ||||||
| Method | X-ray diffraction | Resolution | 1.97 Å | Mutation | No | [1] |
| 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
|
|||||
|
|
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
|
|||||
| PDB ID: 7DZD Crystal structure of uPA in complex with cleaved camostat | ||||||
| Method | X-ray diffraction | Resolution | 2.00 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 IRSHT
|
|||||
|
|
TYR172
4.737
ASP189
2.919
SER190
2.649
CYS191
3.323
GLN192
3.329
GLY193
3.615
ASP194
4.112
SER195
1.346
VAL213
3.624
SER214
3.651
TRP215
3.369
|
|||||
| PDB ID: 7VM4 Crystal structure of uPA in complex with nafamostat | ||||||
| Method | X-ray diffraction | Resolution | 2.01 Å | Mutation | No | [1] |
| 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
|
|||||
|
|
TYR172
4.614
ASP189
2.993
SER190
2.674
CYS191
3.380
GLN192
3.386
GLY193
3.501
ASP194
4.007
SER195
1.345
VAL213
3.692
SER214
3.684
TRP215
3.367
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural study of the uPA-nafamostat complex reveals a covalent inhibitory mechanism of nafamostat. Biophys J. 2022 Oct 18;121(20):3940-3949. | ||||
| REF 2 | Crystal structure of uPA in complex with cleaved camostat | ||||
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