Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T94033 | Target Info | |||
| Target Name | Coagulation factor IIa (F2) | ||||
| Synonyms | Prothrombin; Coagulation factor II | ||||
| Target Type | Successful Target | ||||
| Gene Name | F2 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | 2-(2-Hydroxy-phenyl)-1h-benzoimidazole-5-carboxamidine | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C(=C1)C2=NC3=C(N2)C=C(C=C3)C(=[NH2+])N)O | ||||
| InChI | 1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1 | ||||
| InChIKey | URJKRCBBKTXOHS-UHFFFAOYSA-O | ||||
| PubChem Compound ID | 1505 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1GHX A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | ||||||
| Method | X-ray diffraction | Resolution | 1.65 Å | Mutation | No | [1] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
|||||
|
|
HIS57
1.652
CYS58
4.692
TRP60D
1.999
LYS60F
2.642
ASP189
1.985
ALA190
2.143
CYS191
2.899
GLU192
2.636
GLY193
3.666
ASP194
3.737
SER195
1.187
GLY196
4.832
VAL213
2.013
|
|||||
| PDB ID: 1GHW A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [1] |
| PDB Sequence |
IVEGSDAEIG
25 MSPWQVMLFR35 KSPQELLCGA44 SLISDRWVLT54 AAHCLLYPPW60D DKNFTENDLL 65 VRIGKHSRTR75 YERNIEKISM84 LEKIYIHPRY94 NWRENLDRDI103 ALMKLKKPVA 113 FSDYIHPVCL123 PDRETAASLL130 QAGYKGRVTG140 WGNLKETGQP152 SVLQVVNLPI 162 VERPVCKDST172 RIRITDNMFC182 AGYKPDEGKR187 GDACEGDSGG197 PFVMKSPFNN 205 RWYQMGIVSW215 GEGCDRDGKY225 GFYTHVFRLK235 KWIQKVIDQF245 |
|||||
|
|
CYS42
4.761
HIS57
1.678
CYS58
4.526
TRP60D
2.091
LYS60F
2.361
ASP189
2.172
ALA190
2.306
CYS191
2.747
GLU192
2.198
GLY193
3.605
ASP194
3.787
SER195
1.211
GLY196
4.726
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | A novel serine protease inhibition motif involving a multi-centered short hydrogen bonding network at the active site. J Mol Biol. 2001 Apr 13;307(5):1451-86. | ||||
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