Structure of PDB 3eqe Chain A Binding Site BS01

Receptor Information
>3eqe Chain A (length=156) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMELYECIQDIFGGLKNPSVKDLATSLKQIPNAAKLSQPYIKEPDQYAY
GRNAIYRNNELEIIVINIPPNKETTVHDHGQSIGCAMVLEGKLLNSIYRS
TGEHAELSNSYFVHEGECLISTKGLIHKMSNPTSERMVSLHVYSPPLEDM
TVFEEQ
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 chain3eqe Chain A Residue 202 [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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PDB3eqe Crystal structure of the YubC protein from Bacillus subtilis.
Resolution2.82 Å
Binding residue
(original residue number in PDB)		H75 H77 H125
Binding residue
(residue number reindexed from 1)		H77 H79 H127
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.20: cysteine dioxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0008198 ferrous iron binding
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0017172 cysteine dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:3eqe, PDBe:3eqe, PDBj:3eqe
PDBsum3eqe
PubMed
UniProtO32085|CDOA_BACSU Cysteine dioxygenase (Gene Name=cdoA)

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