Structure of PDB 3k71 Chain E Binding Site BS01

Receptor Information
>3k71 Chain E (length=882) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNLDTEELTAFRVDSAGFGDSVVQYANSWVVVGAPQKITAANQTGGLYQC
GYSTGACEPIGLQVPPEAVNMSLGLSLASTTSPSQLLACGPTVHHECGRN
MYLTGLCFLLGPTQLTQRLPVSRQECPFELEMAQEGFSAVFTPDGPVLGA
VGSFTWSGGAFLYPPNMSPTFINMSQENVDMRDSYLGYSTELALWKGVQS
LVLGAPRYQHTGKAVIFTQVSRQWRMKAEVTGTQIGSYFGASLCSVDVDS
DGSTDLVLIGAPHYYEQTRGGQVSVCPLPRGWRRWWCDAVLYGEQGHPWG
RFGAALTVLGDVNGDKLTDVVIGAPGEEENRGAVYLFHGVLGPSISPSHS
QRIAGSQLSSRLQYFGQALSGGQDLTQDGLVDLAVGARGQVLLLRTRPVL
WVGVSMQFIPAEIPRSAFECREQVVSEQTLVQSNICLYIDKRSKNLLGSR
DLQSSVTLDLALDPGRLSPRATFQETKNRSLSRVRVLGLKAHCENFNLLL
PSCVEDSVTPITLRLNFTLVGKPLLAFRNLRPMLAADAQRYFTASLPFEK
NCGADHICQDNLGISFSFPGLKSLLVGSNLELNAEVMVWNDGEDSYGTTI
TFSHPAGLSYRYVAEGQKQGQLRSLHLTCDSAPVGSQGTWSTSCRINHLI
FRGGAQITFLATFDVSPKAVLGDRLLLTANVSSENNTPRTSKTTFQLELP
VKYAVYTVVSSHEQFTKYLNFSESEEKESHVAMHRYQVNNLGQRDLPVSI
NFWVPVELNQEAVWMDVEVSHPQNPSLRCSSEKIAPPASDFLAHIQKNPV
LDCSIAGCLRFRCDVPSFSVQEELDFTLKGNLSFGWVRQILQKKVSVVSV
AEITFDTSVYSQLPGQEAFMRAQTTTVLEKYK
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 chain3k71 Chain E Residue 2005 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3k71 Structure of an integrin with an alphaI domain, complement receptor type 4.
Resolution3.95 Å
Binding residue
(original residue number in PDB)		D447 S453 T454 D455
Binding residue
(residue number reindexed from 1)		D247 S253 T254 D255
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005178 integrin binding
GO:0005515 protein binding
GO:0030971 receptor tyrosine kinase binding
GO:0038023 signaling receptor activity
GO:0046872 metal ion binding
Biological Process
GO:0007155 cell adhesion
GO:0007160 cell-matrix adhesion
GO:0007229 integrin-mediated signaling pathway
GO:0008284 positive regulation of cell population proliferation
GO:0009887 animal organ morphogenesis
GO:0010628 positive regulation of gene expression
GO:0030335 positive regulation of cell migration
GO:0031643 positive regulation of myelination
GO:0033627 cell adhesion mediated by integrin
GO:0034113 heterotypic cell-cell adhesion
GO:0045766 positive regulation of angiogenesis
GO:0051607 defense response to virus
GO:0098609 cell-cell adhesion
GO:1905956 positive regulation of endothelial tube morphogenesis
Cellular Component
GO:0005886 plasma membrane
GO:0008305 integrin complex
GO:0009897 external side of plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0030667 secretory granule membrane
GO:0034689 integrin alphaX-beta2 complex
GO:0070821 tertiary granule membrane
GO:0101003 ficolin-1-rich granule membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3k71, PDBe:3k71, PDBj:3k71
PDBsum3k71
PubMed20033057
UniProtP20702|ITAX_HUMAN Integrin alpha-X (Gene Name=ITGAX)

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