Structure of PDB 4qm9 Chain A Binding Site BS01

Receptor Information
>4qm9 Chain A (length=154) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELYECIQDIFGGLKNPSVKDLATSLKQIPNAAKLSQPYIKEPDQYAYGR
NAIYRNNELEIIVINIPPNKETTVHDHGQSIGCAMVLEGKLLNSIYRSTG
EHAELSNSYFVHEGECLISTKGLIHKMSNPTSERMVSLHVYSPPLEDMTV
FEEQ
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 chain4qm9 Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4qm9 Structures of Arg- and Gln-type bacterial cysteine dioxygenase homologs.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H75 H77 H125
Binding residue
(residue number reindexed from 1)		H75 H77 H125
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:4qm9, PDBe:4qm9, PDBj:4qm9
PDBsum4qm9
PubMed25307852
UniProtO32085|CDOA_BACSU Cysteine dioxygenase (Gene Name=cdoA)

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