Structure of PDB 3m6f Chain A

Receptor sequence
>3m6fA (length=180) Species: 9606 (Homo sapiens) [Search protein sequence]
MNVDLVFLFDGSMSLQPDEFQKILDFMKDVMKKLSNTSYQFAAVQFSTSY
KTEFDFSDYVKRKDPDALLKHVKHMLLLTNTFGAINYVATEVFREELGAR
PDATKVLIIITDGEATDSGNIDAAKDIIRYIIGIGKHFQTKESQETLHKF
ASKPASEFVKILDTFEKLKDLFTELQKKIY
3D structure
PDB3m6f Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521).
ChainA
Resolution1.85 Å
3D
structure
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Enzymatic activity
Enzyme Commision number ?
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 BJZ A V157 Y166 T231 I235 Y257 I259 K287 L302 I306 V30 Y39 T104 I108 Y130 I132 K160 L175 I179 PDBbind-CN: -logKd/Ki=8.60,IC50=2.5nM
BindingDB: IC50=60nM
External links
PDB RCSB:3m6f, PDBe:3m6f, PDBj:3m6f
PDBsum3m6f
PubMed20405922
UniProtP20701|ITAL_HUMAN Integrin alpha-L (Gene Name=ITGAL)

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