Structure of PDB 1rfn Chain A Binding Site BS01
Receptor Information
>1rfn Chain A (length=235) Species:
9606
(Homo sapiens) [
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VVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKIT
VVAGEHNIEETEHTEQKRNVIRIIPHHNYNAAINKYNHDIALLELDEPLV
LNSYVTPICIADKEYTNIFLKFGSGYVSGWGRVFHKGRSALVLQYLRVPL
VDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDSGGPHVTEVEGTSFLT
GIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
Ligand information
Ligand ID
CA
InChI
InChI=1S/Ca/q+2
InChIKey
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
Formula
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
1rfn Chain A Residue 500 [
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Receptor-Ligand Complex Structure
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PDB
1rfn
Coagulation factor IXa: the relaxed conformation of Tyr99 blocks substrate binding.
Resolution
2.8 Å
Binding residue
(original residue number in PDB)
E70 N72 E75 E77 E80
Binding residue
(residue number reindexed from 1)
E55 N57 E60 E62 E65
Annotation score
4
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
View graph for
Biological Process
External links
PDB
RCSB:1rfn
,
PDBe:1rfn
,
PDBj:1rfn
PDBsum
1rfn
PubMed
10467148
UniProt
P00740
|FA9_HUMAN Coagulation factor IX (Gene Name=F9)
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