Structure of PDB 4nen Chain A Binding Site BS05

Receptor Information
>4nen Chain A (length=1063) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FNLDTEELTAFRVDSAGFGDSVVQYANSWVVVGAPQKITAADQTGGLYQC
GYSTGACEPIGLQVPPEAVNMSLGLSLASTTSPSQLLACGPTVHHECGRN
MYLTGLCFLLGPTQLTQRLPVSRQECPRQEQDIVFLIDGSGSISSRNFAT
MMNFVRAVISQFQRPSTQFSLMQFSNKFQTHFTFEEFRRSSNPLSLLASV
HQLQGFTYTATAIQNVVHRLFHASYGARRDAAKILIVITDGKKEGDSLDY
KDVIPMADAAGIIRYAIGVGLAFQNRNSWKELNDIASKPSQEHIFKVEDF
DALKDIQNQLKEKIFAIEGTETTSSSSFELEMAQEGFSAVFTPDGPVLGA
VGSFTWSGGAFLYPPNMDPTFINMSQENVDMRDSYLGYSTELALWKGVQS
LVLGAPRYQHTGKAVIFTQVSRQWRMKAEVTGTQIGSYFGASLCSVDVDS
DGSTDLVLIGAPHYYEQTRGGQVSVCPLPRGWRRWWCDAVLYGEQGHPWG
RFGAALTVLGDVNGDKLTDVVIGAPGEEENRGAVYLFHGVLGPSISPSHS
QRIAGSQLSSRLQYFGQALSGGQDLTQDGLVDLAVGARGQVLLLRTRPVL
WVGVSMQFIPAEIPRSAFECREQVVSEQTLVQSNICLYIDKRSKNLLGSR
DLQSSVTLDLALDPGRLSPRATFQETKTRSLSRVRVLGLKAHCENFNLLL
PSCVEDSVTPITLRLNFTLVGKPLLAFRNLRPMLAADAQRYFTASLPFED
NLGISFSFPGLKSLLVGSNLELNAEVMVWNDGEDSYGTTITFSHPAGLSY
RYVALHLTCDSAPVGSQGTWSTSCRINHLIFRGGAQITFLATFDVSPKAV
LGDRLLLTANVSSESNTPRTSKTTFQLELPVKYAVYTVVSSHEQFTKYLC
FSESEEKESHVAMHRYQVNNLGQRDLPVSINFWVPVELNQEAVWMDVEVS
HPQNPSLRCSSEKIAPPASDFLAHIQKNPVLDCSIAGCLRFRCDVPSFSV
QEELDFTLKGNLSFGWVRQILQKKVSVVSVAEITFDTSVYSQLPGQEAFM
RAQTTTVLEKYKP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain4nen Chain A Residue 1116 [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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PDB4nen An internal ligand-bound, metastable state of a leukocyte integrin, alpha X beta 2.
Resolution2.9012 Å
Binding residue
(original residue number in PDB)		S140 S142 T207
Binding residue
(residue number reindexed from 1)		S140 S142 T207
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
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Cellular Component
External links
PDB RCSB:4nen, PDBe:4nen, PDBj:4nen
PDBsum4nen
PubMed24385486
UniProtP20702|ITAX_HUMAN Integrin alpha-X (Gene Name=ITGAX)

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