Structure of PDB 8zjf Chain B Binding Site BS03

Receptor Information
>8zjf Chain B (length=510) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SCQPAPSCQKCILSHPSCAWCKQLNFTASGEAEARRCARREELLARGCPL
EELEEPRGQQEVLQDQPLSQGARGEGATQLAPQRVRVTLRPGEPQQLQVR
FLRAEGYPVDLYYLMDLSYSMKDDLERVRQLGHALLVRLQEVTHSVRIGF
GSFVDKTVLPFVSTVPSKLRHPCPTRLERCQSPFSFHHVLSLTGDAQAFE
REVGRQSVSGNLDSPEGGFDAILQAALCQEQIGWRNVSRLLVFTSDDTFH
TAGDGKLGGIFMPSDGHCHLDSNGLYSRSTEFDYPSVGQVAQALSAANIQ
PIFAVTSAALPVYQELSKLIPKSAVGELSEDSSNVVQLIMDAYNSLSSTV
TLEHSSLPPGVHISYESQCEGPEKREGKAEDRGQCNHVRINQTVTFWVSL
QATHCLPEPHLLRLRALGFSEELIVELHTLCDCNCSDTQPQAPHCSDGQG
HLQCGVCSCAPGRLGRLCECSVAELSSPDLESGCGPLCSGKGHCQCGRCS
CSGQSSGHLC
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 chain8zjf Chain B Residue 903 [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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PDB8zjf Cryo-EM structure of I domain-containing integrin alpha E beta 7.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		S163 D166 D167 E373
Binding residue
(residue number reindexed from 1)		S120 D123 D124 E330
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8zjf, PDBe:8zjf, PDBj:8zjf
PDBsum8zjf
PubMed38781659
UniProtP26010|ITB7_HUMAN Integrin beta-7 (Gene Name=ITGB7)

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