Structure of PDB 2q3w Chain A Binding Site BS01

Receptor Information
>2q3w Chain A (length=109) Species: 300 (Pseudomonas mendocina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFEKICSLDDIWVGEMETFETSDGTEVLIVNSEEHGVKAYQAMCPHQEIL
LSEGSYEGGVITCRAHLWTFNDGTGHGINPDDAALAEYPVEVKGDDIYVS
TKGILPNKA
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 chain2q3w Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2q3w Ensemble refinement of protein crystal structures: validation and application.
Resolution1.48 Å
Binding residue
(original residue number in PDB)		D96 D97
Binding residue
(residue number reindexed from 1)		D95 D96
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0009056 catabolic process
GO:0042203 toluene catabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2q3w, PDBe:2q3w, PDBj:2q3w
PDBsum2q3w
PubMed17850744
UniProtQ00458|TMOC_PSEME Toluene-4-monooxygenase system, ferredoxin component (Gene Name=tmoC)

[Back to BioLiP]