Structure of PDB 3tcx Chain H Binding Site BS01

Receptor Information
>3tcx Chain H (length=180) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNVDLVFLFDGSMSLQPDEFQKILDFMKDVMKKLSNTSYQFAAVQFSTSY
KTEFDFSDYVKWKDPDALLKHVKHMLLLTNTFGAINYVATEVFREELGAR
PDATKVLIIITDGEATDSGNIDAAKDIIRYIIGIGKHSQTKESQETLHKF
ASKPASEFVKILDTFEKLKDLFTELQKKIY
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 chain3tcx Chain H 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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PDB3tcx Structure of Engineered Single Domain ICAM-1 D1 with High-Affinity L Integrin I Domain of Native C-Terminal Helix Conformation
Resolution3.6 Å
Binding residue
(original residue number in PDB)		S139 S141 T206 D239 E241
Binding residue
(residue number reindexed from 1)		S12 S14 T79 D112 E114
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:3tcx, PDBe:3tcx, PDBj:3tcx
PDBsum3tcx
PubMed
UniProtP20701|ITAL_HUMAN Integrin alpha-L (Gene Name=ITGAL)

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