Structure of PDB 2ica Chain A

Receptor sequence
>2icaA (length=179) Species: 9606 (Homo sapiens) [Search protein sequence]
MNVDLVFLFDGSMSLQPDEFQKILDFMKDVMKKLSNTSYQFAAVQFSTSY
KTEFDFSDYVKRKDPDALLKHVKHMLLLTNTFGAINYVATEVFREELGAR
PDATKVLIIITDGEATDSGNIDAAKDIIRYIIGIGKHFQTKESQETLHKF
ASKPASEFVKILDTFEKLKDLFTELQKKI
3D structure
PDB2ica Discovery and Development of 5-[(5S,9R)-9- (4-Cyanophenyl)-3-(3,5-dichlorophenyl)-1- methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non- 7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101)-A Small Molecule Antagonist Leukocyte Function Associated Antigen-1.
ChainA
Resolution1.56 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 2IC A V157 Y166 I235 I255 Y257 I259 K287 L302 I306 V30 Y39 I108 I128 Y130 I132 K160 L175 I179 MOAD: ic50=20nM
PDBbind-CN: -logKd/Ki=7.70,IC50=20nM
BindingDB: IC50=20nM
External links
PDB RCSB:2ica, PDBe:2ica, PDBj:2ica
PDBsum2ica
PubMed17125246
UniProtP20701|ITAL_HUMAN Integrin alpha-L (Gene Name=ITGAL)

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