Structure of PDB 6om1 Chain A Binding Site BS04

Receptor Information
>6om1 Chain A (length=592) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNLDVDSPAEYSGPEGSYFGFAVDFFVPSSSRMFLLVGAPKANTTQPGIV
EGGQVLKCDWSSTRRCQPIEFDATGNRDYAKDDPLEFKSHQWFGASVRSK
QDKILACAPLYHWRTEMKQEREPVGTCFLQDGTKTVEYAPCRSQDIDADG
QGFCQGGFSIDFTKADRVLLGGPGSFYWQGQLISDQVAEIVSKYDPNVYS
IKYNNQLATRTAQAIFDDSYLGYSVAVGDFNGDGIDDFVSGVPRAARTLG
MVYIYDGKNMSSLYNFTGEQMAAYFGFSVAATDINGDDYADVFIGAPLFM
DRGSDGKLQEVGQVSVSLQRASGDFQTTKLNGFEVFARFGSAIAPLGDLD
QDGFNDIAIAAPYGGEDKKGIVYIFNGRSTGLNAVPSQILEGQWAARSGC
PPSFGYSMKGATDIDKNGYPDLIVGAFGVDRAILYRARPVITVNAGLEVY
PSILNQDNKTCSLPLKVSCFNVRFCLKADGKGVLPRKLNFQVELLLDKLK
QKGAIRRALFLYSRSPSHSKNMTISRGGLMQCEELIAYLESEFRDKLTPI
TIFMEYRLDYRTAADTTGLQPILNQFTPANISRQAHILLTGG
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 A Residue 609 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D414 D416 N418 Y420 D422
Binding residue
(residue number reindexed from 1)		D413 D415 N417 Y419 D421
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0008305 integrin complex

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Biological Process
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Cellular Component
External links
PDB RCSB:6om1, PDBe:6om1, PDBj:6om1
PDBsum6om1
PubMed31792290
UniProtP06756|ITAV_HUMAN Integrin alpha-V (Gene Name=ITGAV)

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