Structure of PDB 4um8 Chain C Binding Site BS02

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 2001 [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)		D415 N417 Y419 D421 A437
Binding residue
(residue number reindexed from 1)		D413 N415 Y417 D419 A435
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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