Structure of PDB 3gke Chain B Binding Site BS01

Receptor Information
>3gke Chain B (length=334) Species: 40324 (Stenotrophomonas maltophilia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATFVRNAWYVAALPEELSEKPLGRTILDTPLALYRQPDGVVAALLDICPH
RFAPLSDGILVNGHLQCPYHGLEFDGGGQCVHNPHGNGARPASLNVRSFP
VVERDALIWIWPGDPALADPGAIPDFGCRVDPAYRTVGGYGHVDCNYKLL
VDNLMDLGHAQYVHRANAQTDAFDRLEREVIVGDGEIQALMKIPGGTPSV
LMAKFPVDAWNDIRWNKVSAMLNFIAVAPEGTPKEQSIHSRGTHILTPET
EASCHYFFGSSRNFGIDDPEMDGVLRSWQAQALVKEDKVVVEAIERRRAY
VEANGIRPAMLSCDEAAVRVSREIEKLEQLEAAR
Ligand information
Ligand IDFES
InChIInChI=1S/2Fe.2S
InChIKeyNIXDOXVAJZFRNF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[Fe]1S[Fe]S1
CACTVS 3.341
OpenEye OEToolkits 1.5.0		S1[Fe]S[Fe]1
FormulaFe2 S2
NameFE2/S2 (INORGANIC) CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain3gke Chain B 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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PDB3gke Crystal structure of dicamba monooxygenase: a Rieske nonheme oxygenase that catalyzes oxidative demethylation.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		C49 H51 R52 C68 Y70 H71 L73
Binding residue
(residue number reindexed from 1)		C48 H50 R51 C67 Y69 H70 L72
Annotation score3
Enzymatic activity
Enzyme Commision number 1.14.15.-
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0016491 oxidoreductase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0009056 catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3gke, PDBe:3gke, PDBj:3gke
PDBsum3gke
PubMed19616011
UniProtQ5S3I3|DDMC_STEMA Dicamba O-demethylase, oxygenase component (Gene Name=ddmC)

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