Structure of PDB 4qm9 Chain A Binding Site BS02

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 IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain4qm9 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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PDB4qm9 Structures of Arg- and Gln-type bacterial cysteine dioxygenase homologs.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		Y48 R50 H75 H77 H125 M127 Y141
Binding residue
(residue number reindexed from 1)		Y48 R50 H75 H77 H125 M127 Y141
Annotation score5
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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