Structure of PDB 3v4p Chain A Binding Site BS01

Receptor Information
>3v4p Chain A (length=582) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNVDTESALLYQGPHNTLFGYSVVLHSHGANRWLLVGAPTANWLANASVI
NPGAIYRCRIGKNPGQTCEQLQLGSPNGEPCGKTCLEERDNQWLGVTLSR
QPGENGSIVTCGHRWKNIFYIKNENKLPTGGCYGVPPDLRTELSKRIAPC
YQDYVKKFGENFASCQAGISSFYTKDLIVMGAPGSSYWTGSLFVYNITTN
KYKAFLDKQNQVKFGSYLGYSVGAGHFRSQHTTEVVGGAPQHEQIGKAYI
FSIDEKELNILHEMKGKKLGSYFGASVCAVDLNADGFSDLLVGAPMQSTI
REEGRVFVYINSGSGAVMNAMETNLVGSDKYAARFGESIVNLGDIDNDGF
EDVAIGAPQEDDLQGAIYIYNGRADGISSTFSQRIEGLQISKSLSMFGQS
ISGQIDADNNGYVDVAVGAFRSDSAVLLRTRPVVIVDASLSHPESVNRTK
FDCVENGWPSVCIDLTLCFSYKGKEVPGYIVLFYNMSLDVNRKAESPPRF
YFSSNGTSDVITGSIQVSSREANCRTHQAFMRKDVRDILTPIQIEAAYHL
GPHSTEEFPPLQPILQQKKEKDIMKKTINFAR
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 chain3v4p Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3v4p Structural specializations of a4b7, an Integrin that Mediates Rolling Adhesion
Resolution3.15 Å
Binding residue
(original residue number in PDB)		D281 N283 D285 F287 S288 D289
Binding residue
(residue number reindexed from 1)		D281 N283 D285 F287 S288 D289
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:3v4p, PDBe:3v4p, PDBj:3v4p
PDBsum3v4p
PubMed22232704
UniProtP13612|ITA4_HUMAN Integrin alpha-4 (Gene Name=ITGA4)

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