Structure of PDB 5net Chain A Binding Site BS03

Receptor Information
>5net Chain A (length=589) 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
VYIYDGKNMSSYNFTGEQMAAYFGFSVAATDINGDDYADVFIGAPLFMDR
GSDGKLQEVGQVSVSLQRASGDFQTTKLNGFEVFARFGSAIAPLGDLDQD
GFNDIAIAAPYGGEDKKGIVYIFNGRSTGLNAVPSQILEGQWAARSCPPS
FGYSMKGATDIDKNGYPDLIVGAFGVDRAILYRARPVITVNAGLEVYPSI
LNQDNKTCSLPGTALKVSCFNVRFCLKADGKGVLPRKLNFQVELLLDKLK
GAIRRALFLYSRSPSHSKNMTISRGGLMQCEELIAYLRDESEFRDKLTPI
TIFMEYRLDYRTAADTTGLQPILNQFTPANISRQAHILL
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 chain5net Chain A Residue 621 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5net Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Resolution8.6 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:5net, PDBe:5net, PDBj:5net
PDBsum5net
PubMed28534487
UniProtP06756|ITAV_HUMAN Integrin alpha-V (Gene Name=ITGAV)

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