Structure of PDB 8epk Chain B Binding Site BS03

Receptor Information
>8epk Chain B (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
VDRATCLRSTKFTIYNNMFCAGFHEGGRDSCQGDAGGPHVTEVEGTSFLT
GIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8epk Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8epk An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		E70 N72 I73 E75 E77 E80
Binding residue
(residue number reindexed from 1)		E55 N57 I58 E60 E62 E65
Annotation score4
External links
PDB RCSB:8epk, PDBe:8epk, PDBj:8epk
PDBsum8epk
PubMed38985762
UniProtP00740|FA9_HUMAN Coagulation factor IX (Gene Name=F9)

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