Structure of PDB 1pt6 Chain A Binding Site BS01

Receptor Information
>1pt6 Chain A (length=192) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLDIVIVLDGSNSIYPWDSVTAFLNDLLKRMDIGPKQTQVGIVQYGENVT
HEFNLNKYSSTEEVLVAAKKIVQRGGRQTMTALGTDTARKEAFTEARGAR
RGVKKVMVIVTDGESHDNHRLKKVIQDCEDENIQRFSIAILGSYNRGNLS
TEKFVEEIKSIASEPTEKHFFNVSDELALVTIVKTLGERIFA
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 chain1pt6 Chain A Residue 500 [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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PDB1pt6 Jararhagin-derived RKKH peptides induce structural changes in alpha1I domain of human integrin alpha1beta1.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		S152 S154 D253
Binding residue
(residue number reindexed from 1)		S11 S13 D112
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1pt6, PDBe:1pt6, PDBj:1pt6
PDBsum1pt6
PubMed14660600
UniProtP56199|ITA1_HUMAN Integrin alpha-1 (Gene Name=ITGA1)

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