Structure of PDB 5ner Chain A Binding Site BS01

Receptor Information
>5ner 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 chain5ner Chain A Residue 616 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ner Rules of engagement between alpha v beta 6 integrin and foot-and-mouth disease virus.
Resolution11.5 Å
Binding residue
(original residue number in PDB)		D415 N417 Y419 D421 A437
Binding residue
(residue number reindexed from 1)		D412 N414 Y416 D418 A434
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:5ner, PDBe:5ner, PDBj:5ner
PDBsum5ner
PubMed28534487
UniProtP06756|ITAV_HUMAN Integrin alpha-V (Gene Name=ITGAV)

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