Structure of PDB 6om2 Chain B Binding Site BS03

Receptor Information
>6om2 Chain B (length=310) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INTQVTPGNFMLKVHPVDLYYLVDVSASMHNNIEKLNSNDLSRKMAFFSR
DFRLGFGSYVDKTVSPYISIHPERIHNQCSDYNLDCMPPHGYIHVLSLTE
NITEFEKAVHRQKISGNIDTPEGGFDAMLQAAVCESHIGWRKEAKRLLLV
MTDQTSHLALDSKLAGIVCPNDGNCHLKNNVYVKSTTMEHPSLGQLSEKL
IDNNINVIFAVQGKQFHWYKDLLPLLPGTIAGEIESKAANLNNLVVEAYQ
KLISEVKVQVENQVQGIYFNITAICPDMEGCRNVSNDEVLFNVTVTMKNY
IIKPIGFNAK
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 chain6om2 Chain B Residue 2002 [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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PDB6om2 General structural features that regulate integrin affinity revealed by atypical alpha V beta 8.
Resolution2.77 Å
Binding residue
(original residue number in PDB)		D151 N207 D209 T210 P211 E212
Binding residue
(residue number reindexed from 1)		D61 N117 D119 T120 P121 E122
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6om2, PDBe:6om2, PDBj:6om2
PDBsum6om2
PubMed31792290
UniProtP26012|ITB8_HUMAN Integrin beta-8 (Gene Name=ITGB8)

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