Structure of PDB 5e6u Chain A Binding Site BS01

Receptor Information
>5e6u Chain A (length=583) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YNLDVRGARSFSPPRAGRHFGYRVLQVGNGVIVGAPGEGNSTGSLYQCQS
GTGHCLPVTLRGSNYTSKYLGMTLATDPTDGSILACDPGLSRTCDQNTYL
SGLCYLFRQNLQGPMLQGRPGFQECIKGNVDLVFLFDGSMSLQPDEFQKI
LDFMKDVMKKLSNTSYQFAAVQFSTSYKTEFDFSDYVKWKDPDALLKHVK
HMLLLTNTFGAINYVATEVFREELGARPDATKVLIIITDGEATDSGNIDA
AKDIIRYIIGIGKHFQTKESQETLHKFASKPASEFVKILDTFEKLKDLFT
ELQKKIQDLTSFNMELSSSGISADLSRGHAVVGAVGAKDWAGGFLDLKAD
LQDDTFIGNEPLTPEVRAGYLGYTVTWLPSRQKTSLLASGAPRYQHMGRV
LLFQEPQGGGHWSQVQTIHGTQIGSYFGGELCGVDVDQDGETELLLIGAP
LFYGEQRGGRVFIYQRRQLGFEEVSELQGDPGYPLGRFGEAITALTDING
DGLVDVAVGAPLEEQGAVYIFNGRHGGLSPQPSQRIEGTQVLSGIQWFGR
SIHGVKDLEGDGLADVAVGAESQMIVLSSRPVV
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 chain5e6u Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5e6u Leukocyte integrin alpha L beta 2 headpiece structures: The alpha I domain, the pocket for the internal ligand, and concerted movements of its loops.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		S139 S141 D239
Binding residue
(residue number reindexed from 1)		S139 S141 D239
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:5e6u, PDBe:5e6u, PDBj:5e6u
PDBsum5e6u
PubMed26936951
UniProtP20701|ITAL_HUMAN Integrin alpha-L (Gene Name=ITGAL)

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