Structure of PDB 8eph Chain D Binding Site BS01

Receptor Information
>8eph Chain D (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 chain8eph Chain D 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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PDB8eph An RNA aptamer exploits exosite-dependent allostery to achieve specific inhibition of coagulation factor IXa.
Resolution1.88 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 score4
External links
PDB RCSB:8eph, PDBe:8eph, PDBj:8eph
PDBsum8eph
PubMed38985762
UniProtP00740|FA9_HUMAN Coagulation factor IX (Gene Name=F9)

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