Structure of PDB 6vsh Chain C Binding Site BS01

Receptor Information
>6vsh Chain C (length=320) Species: 40324 (Stenotrophomonas maltophilia) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATFVRNAWYVAALPEELSEKPLGRTILDTPLALYRQPDGVVAALLDICPH
RFAPLSDGILVNGHLQCPYHGLEFDGGGQCVHNPHGNGARPASLNVRSFP
VVERDALIWIWPGDPALADPGAIPDFGCRVDPAYRTVGGYGHVDCNYKLL
VDNLMDLEVIVGDGEIQALMKIPGGTPSVLMAKFLRGANTPVDAWNDIRW
NKVSAMLNFIAVAPEGTPKEQSIHSRGTHILTPETEASCHYFFGSSRNFG
IDDPEMDGVLRSWQAQALVKEDKVVVEAIERRRAYVEANGIRPAMLSCDE
AAVRVSREIEKLEQLEAARL
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 chain6vsh Chain C Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6vsh Dicamba monooxygenase: structural insights into a dynamic Rieske oxygenase that catalyzes an exocyclic monooxygenation.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C49 H51 C68 Y70 H71 L73
Binding residue
(residue number reindexed from 1)		C48 H50 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
View graph for
Biological Process
External links
PDB RCSB:6vsh, PDBe:6vsh, PDBj:6vsh
PDBsum6vsh
PubMed19616009
UniProtQ5S3I3|DDMC_STEMA Dicamba O-demethylase, oxygenase component (Gene Name=ddmC)

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