Structure of PDB 1cqp Chain A Binding Site BS01

Receptor Information
>1cqp Chain A (length=182) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNVDLVFLFDGSMSLQPDEFQKILDFMKDVMKKLSNTSYQFAAVQFSTSY
KTEFDFSDYVKWKDPDALLKHVKHMLLLTNTFGAINYVATEVFREELGAR
PDATKVLIIITDGEATDSGNIDAAKDIIRYIIGIGKHFQTKESQETLHKF
ASKPASEFVKILDTFEKLKDLFTELQKKIYVI
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 chain1cqp Chain A Residue 310 [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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PDB1cqp Structural basis for LFA-1 inhibition upon lovastatin binding to the CD11a I-domain.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		S139 S141 D239
Binding residue
(residue number reindexed from 1)		S12 S14 D112
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1cqp, PDBe:1cqp, PDBj:1cqp
PDBsum1cqp
PubMed10493852
UniProtP20701|ITAL_HUMAN Integrin alpha-L (Gene Name=ITGAL)

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