Structure of PDB 1rfn Chain A Binding Site BS02

Receptor Information
>1rfn Chain A (length=235) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKIT
VVAGEHNIEETEHTEQKRNVIRIIPHHNYNAAINKYNHDIALLELDEPLV
LNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRSALVLQYLRVPL
VDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLT
GIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
Ligand information
Ligand IDPBZ
InChIInChI=1S/C7H9N3/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H3,9,10)/p+1
InChIKeyWPANETAWYGDRLL-UHFFFAOYSA-O
SMILES
SoftwareSMILES
ACDLabs 10.04N/C(c1ccc(N)cc1)=[NH2+]
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=[NH2+])N)N
CACTVS 3.341NC(=[NH2+])c1ccc(N)cc1
FormulaC7 H10 N3
NameP-AMINO BENZAMIDINE
ChEMBL
DrugBank
ZINC
PDB chain1rfn Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rfn Coagulation factor IXa: the relaxed conformation of Tyr99 blocks substrate binding.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D189 S190 C191 Q192 W215 G216
Binding residue
(residue number reindexed from 1)		D179 S180 C181 Q182 W205 G206
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102 Q192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) H41 D89 Q182 G183 D184 S185 G186
Enzyme Commision number 3.4.21.22: coagulation factor IXa.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:1rfn, PDBe:1rfn, PDBj:1rfn
PDBsum1rfn
PubMed10467148
UniProtP00740|FA9_HUMAN Coagulation factor IX (Gene Name=F9)

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