Structure of PDB 4um8 Chain C Binding Site BS04

Receptor Information
>4um8 Chain C (length=588) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNLDVDSPAEYSGPEGSYFGFAVDFFVPSSRMFLLVGAPKANTTQPGIVE
GGQVLKCDWSSTRRCQPIEFDATGNRDYAKDDPLEFKSHQWFGASVRSKQ
DKILACAPLYHWRTEMKQEREPVGTCFLQDGTKTVEYAPCRSQDIDADGQ
GFCQGGFSIDFTKADRVLLGGPGSFYWQGQLISDQVAEIVSKYDPNVYSI
KYNNQLATRTAQAIFDDSYLGYSVAVGDFNGDGIDDFVSGVPRAARTLGM
VYIYDGKNMSSLYNFTGEQMAAYFGFSVAATDINGDDYADVFIGAPLFMD
RGSDGKLQEVGQVSVSLQRASGDFQTTKLNGFEVFARFGSAIAPLGDLDQ
DGFNDIAIAAPYGGEDKKGIVYIFNGRSTGLNAVPSQILEGQWAARSCPP
SFGYSMKGATDIDKNGYPDLIVGAFGVDRAILYRARPVITVNAGLEVYPS
ILNQDNKTCSLPGTALKVSCFNVRFCLKADGKGVLPRKLNFQVELLLDKL
KGAIRRALFLYSRSPSHSKNMTISRGGLMQCEELIAYLRDESEFRDKLTP
ITIFMEYRLDYRTATTGLQPILNQFTPANISRQAHILL
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 chain4um8 Chain C Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4um8 Structural Determinants of Integrin Beta-Subunit Specificity for Latent Tgf-Beta
Resolution2.852 Å
Binding residue
(original residue number in PDB)		D230 N232 D234 I236 D238
Binding residue
(residue number reindexed from 1)		D228 N230 D232 I234 D236
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:4um8, PDBe:4um8, PDBj:4um8
PDBsum4um8
PubMed25383667
UniProtP06756|ITAV_HUMAN Integrin alpha-V (Gene Name=ITGAV)

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