Structure of PDB 1mq9 Chain A Binding Site BS01

Receptor Information
>1mq9 Chain A (length=173) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNVDLVFLFDGSMSLQPDEFQKILDFMKDVMKKLSNTSYQFAAVQFSTSY
KTEFDFSDYVKRKDPDALLKHVKHMLLLTNTFGAINYVATEVFREELGAR
PDATKVLIIITDGEATDSGNIDAAKDIIRYIIGIGKHFQTKESQETLHKF
ASKPASEFVCILDTFECLKDLFT
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain1mq9 Chain A 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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PDB1mq9 Structures of the aL I domain and its complex with ICAM-1 reveal a shape-shifting pathway for integrin regulation
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S139 S141 T206
Binding residue
(residue number reindexed from 1)		S12 S14 T79
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1mq9, PDBe:1mq9, PDBj:1mq9
PDBsum1mq9
PubMed12526797
UniProtP20701|ITAL_HUMAN Integrin alpha-L (Gene Name=ITGAL)

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