Structure of PDB 1qc5 Chain B Binding Site BS01

Receptor Information

>1qc5 Chain B (length=190) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

QLDIVIVLDGSNSIYPWDSVTAFLNDLLERMDIGPKQTQVGIVQYGENVT
HEFNLNKYSSTEEVLVAAKKIVQRGGRQTMTALGIDTARKEAFTEARGAR
RGVKKVMVIVTDGESHDNHRLKKVIQDCEDENIQRFSIAILGSYNRGNLS
TEKFVEEIKSIASEPTEKHFFNVSDEIALVTIVKTLGERI

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

1qc5 Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1qc5 Trench-shaped binding sites promote multiple classes of interactions between collagen and the adherence receptors, alpha(1)beta(1) integrin and Staphylococcus aureus cna MSCRAMM.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	S342 S344 D443
Binding residue (residue number reindexed from 1)	S11 S13 D112
Annotation score	4

Enzymatic activity

Enzyme Commision number

External links

PDB	RCSB:1qc5, PDBe:1qc5, PDBj:1qc5
PDBsum	1qc5
PubMed	10455165
UniProt	P56199\|ITA1_HUMAN Integrin alpha-1 (Gene Name=ITGA1)

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