Structure of PDB 1qcy Chain A Binding Site BS01

Receptor Information
>1qcy Chain A (length=193) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQLDIVIVLDGSNSIYPWDSVTAFLNDLLKRMDIGPKQTQVGIVQYGENV
THEFNLNKYSSTEEVLVAAKKIVQRGGAQTMTALGTDTARKEAFTEARGA
RRGVKKVMVIVTDGESHDNHRLKKVIQDCEDENIQRFSIAILGSYNRGNL
STEKFVEEIKSIASEPTEKHFFNVSDELALVTIVKTLGERIFA
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 chain1qcy Chain A Residue 101 [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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PDB1qcy Jararhagin-derived RKKH Peptides Induce Structural Changes in a1I Domain of Human Integrin a1b1
Resolution2.3 Å
Binding residue
(original residue number in PDB)		S152 S154 D253
Binding residue
(residue number reindexed from 1)		S12 S14 D113
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1qcy, PDBe:1qcy, PDBj:1qcy
PDBsum1qcy
PubMed14660600
UniProtP56199|ITA1_HUMAN Integrin alpha-1 (Gene Name=ITGA1)

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