Structure of PDB 6om1 Chain D Binding Site BS02

Receptor Information
>6om1 Chain D (length=312) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTQVTPGEVSNFMLKVHPLKKYPVDLYYLVDVSASMHNNIEKLNSVDLSR
KMAFFSRDFRLGFGSYVDKTVSPYISIHPERNLDCMPPHGYIHVLSLTEN
ITEFEKAVHRQKISGNIDTPEGGFDAMLQAAVCESHIGWRKEAKRLLLVM
TDQTSHLALDSKLAGIVCPNDGNCHLKNNVYVKSTTMEHPSLGQLSEKLI
DNNINVIFAVQGKQFHWYKDLLPLLPGTIAGEIESKAANLNNLVVEAYQK
LISEVKVQVENQGIYFNITAICPDPGMEGCRNVTSNDEVLFNVTVTNYAI
IKPIGFNETAKI
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 chain6om1 Chain D Residue 504 [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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PDB6om1 General structural features that regulate integrin affinity revealed by atypical alpha V beta 8.
Resolution2.66 Å
Binding residue
(original residue number in PDB)		D151 N207 D209 P211 E212
Binding residue
(residue number reindexed from 1)		D68 N116 D118 P120 E121
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6om1, PDBe:6om1, PDBj:6om1
PDBsum6om1
PubMed31792290
UniProtP26012|ITB8_HUMAN Integrin beta-8 (Gene Name=ITGB8)

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