Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T83369 | Target Info | |||
| Target Name | Coagulation factor IX (F9) | ||||
| Synonyms | Plasma thromboplastin component; PTC protein; Factor IX; Christmas factor | ||||
| Target Type | Successful Target | ||||
| Gene Name | F9 | ||||
| Biochemical Class | Peptidase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | P-Amino benzamidine | Ligand Info | |||
| Canonical SMILES | C1=CC(=CC=C1C(=[NH2+])N)N | ||||
| InChI | 1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)/p+1 | ||||
| InChIKey | WPANETAWYGDRLL-UHFFFAOYSA-O | ||||
| PubChem Compound ID | 3289295 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6MV4 CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR IXa | ||||||
| Method | X-ray diffraction | Resolution | 1.37 Å | Mutation | No | [1] |
| PDB Sequence |
VVGGEDAKPG
25 QFPWQVVLNG35 KVDAFCGGSI46 VNEKWIVTAA56 HCVETGVKIT65 VVAGEHNIEE 75 TEHTEQKRNV85 IRIIPHHNYN95 AAINKYNHDI103 ALLELDEPLV113 LNSYVTPICI 123 ADKEYTNIFL131 KFGSGYVSGW141 GRVFHKGRSA152 LVLQYLRVPL162 VDRATCLRST 172 KFTIYNNMFC182 AGFHEGGRDS190 CQGDSGGPHV200 TEVEGTSFLT210 GIISWGEECA 221 MKGKYGIYTK230 VSRYVNWIKE240 KTKLT
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| PDB ID: 1RFN HUMAN COAGULATION FACTOR IXA IN COMPLEX WITH P-AMINO BENZAMIDINE | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | No | [2] |
| PDB Sequence |
VVGGEDAKPG
25 QFPWQVVLNG35 KVDAFCGGSI46 VNEKWIVTAA56 HCVETGVKIT65 VVAGEHNIEE 75 TEHTEQKRNV85 IRIIPHHNYN95 AAINKYNHDI103 ALLELDEPLV113 LNSYVTPICI 123 ADKEYTNIFL131 KFGSGYVSGW141 GRVFHKGRSA152 LVLQYLRVPL162 VDRATCLRST 172 KFTIYNNMFC182 AGFHEGGRDS190 CQGDSGGPHV200 TEVEGTSFLT210 GIISWGEECA 221 MKGKYGIYTK230 VSRYVNWIKE240 KTKLT
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Sodium-site in serine protease domain of human coagulation factor IXa: evidence from the crystal structure and molecular dynamics simulations study. J Thromb Haemost. 2019 Apr;17(4):574-584. | ||||
| REF 2 | Coagulation factor IXa: the relaxed conformation of Tyr99 blocks substrate binding. Structure. 1999 Aug 15;7(8):989-96. | ||||
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