Structure of PDB 6wnb Chain A Binding Site BS01

Receptor Information
>6wnb Chain A (length=320) Species: 467598 (Microseira wollei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTADLILINNWHVVANVEDCKPGSITTARLLGVKLVLWRSQEQNSPIQVW
QDYCPHRGVPLSMGEVANNTLVCPYHGWRYNQAGKCVQIPAHPDMVPPAS
AQAKTYHCQERYGLVWVCLGNPVNDIPSFPEWDDPNYHKTYTKSYLIQAS
PFRVMDNSIDVSHFPFIHDGWLGDRNYTKVEDFEVKVDKDGLTMGKYQFQ
TSRDDSWVNWFRLSHPLCQYCVSESPEMRIVDLMTIAPIDEDNSVLRMLI
MWNGSEMLESKMLTEYDETIEQDIRILHSQQPARLPLLAGLPQEIHVPSD
RGTVAYRRWLKELGVTYGVC
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 chain6wnb Chain A Residue 501 [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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PDB6wnb Structural basis for divergent C-H hydroxylation selectivity in two Rieske oxygenases.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		C55 H57 R58 C74 Y76 H77 W79
Binding residue
(residue number reindexed from 1)		C54 H56 R57 C73 Y75 H76 W78
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051537 2 iron, 2 sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:6wnb, PDBe:6wnb, PDBj:6wnb
PDBsum6wnb
PubMed32532989
UniProtC3RVQ0

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