Structure of PDB 1mq8 Chain B Binding Site BS01

Receptor Information
>1mq8 Chain B (length=177) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDLVFLFDGSMSLQPDEFQKILDFMKDVMKKCSNTSYQFAAVQFSTSYKT
EFDFSDYVKRKDPDALLKHVKHMLLLTNTFGAINYVATEVFREELGARPD
ATKVLIIITDGEATDSGNIDAAKDIIRYIIGIGKHFQTKESQETLHKFAS
KPASEFVKILDTFEKLKDLCTELQKKI
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 chain1mq8 Chain B Residue 901 [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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PDB1mq8 Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation
Resolution3.3 Å
Binding residue
(original residue number in PDB)		S139 S141 T206
Binding residue
(residue number reindexed from 1)		S10 S12 T77
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1mq8, PDBe:1mq8, PDBj:1mq8
PDBsum1mq8
PubMed12526797
UniProtP20701|ITAL_HUMAN Integrin alpha-L (Gene Name=ITGAL)

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