Structure of PDB 1tmx Chain B Binding Site BS01

Receptor Information
>1tmx Chain B (length=287) Species: 2045 (Pimelobacter simplex) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVSAEQQAREQDLVERVLRSFDATADPRLKQVMQALTRHLHAFLREVRLT
EAEWETGIGFLTDAGHVTNERRQEFILLSDVLGASMQTIAMNNEAHGDAT
EATVFGPFFVEGSPRIESGGDIAGGAAGEPCWVEGTVTDTDGNPVPDARI
EVWEADDDGFYDVQYDDDRTAARAHLLSGPDGGYAFWAITPTPYPIPHDG
PVGRMLAATGRSPMRASHLHFMVTAPGRRTLVTHIFVEGDELLDRDSVFG
VKDSLVKSFERQPAPTPGGEIDGPWSRVRFDIVLAPA
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain1tmx Chain B Residue 862 [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]
PDB1tmx Crystal structure of the hydroxyquinol 1,2-dioxygenase from Nocardioides simplex 3E, a key enzyme involved in polychlorinated aromatics biodegradation.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		Y164 Y197 H221 H223
Binding residue
(residue number reindexed from 1)		Y161 Y194 H218 H220
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y164 Y197 R218 H221 H223
Catalytic site (residue number reindexed from 1) Y161 Y194 R215 H218 H220
Enzyme Commision number 1.13.11.37: hydroxyquinol 1,2-dioxygenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005506 iron ion binding
GO:0008199 ferric iron binding
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0018576 catechol 1,2-dioxygenase activity
GO:0018581 hydroxyquinol 1,2-dioxygenase activity
GO:0046872 metal ion binding
GO:0047074 4-hydroxycatechol 1,2-dioxygenase activity
GO:0051213 dioxygenase activity
Biological Process
GO:0009056 catabolic process
GO:0009712 catechol-containing compound metabolic process
GO:0042952 beta-ketoadipate pathway

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1tmx, PDBe:1tmx, PDBj:1tmx
PDBsum1tmx
PubMed15772073
UniProtQ5PXQ6|CHQB_NOCSI Hydroxyquinol 1,2-dioxygenase (Gene Name=chqB)

[Back to BioLiP]