Structure of PDB 4kwl Chain A Binding Site BS02

Receptor Information
>4kwl Chain A (length=187) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TELLKPRTLADLIRILHELFAGDEVNVEEVQAVLEAYESNPAEWALYAKF
DQYRYTRNLVDQGNGKFNLMILCWGEGHGSSIHDHTDSHCFLKLLQGNLK
ETLFDWPDKKSNEMIKKSERTLRENQCAYINDSIGLHRVENVSHTEPAVS
LHLYSPPFDTCHAFDQRTGHKNKVTMTFHSKFGIRTP
Ligand information
Ligand ID3SS
InChIInChI=1S/C3H6O2S2/c4-3(5)1-2-7-6/h6H,1-2H2,(H,4,5)
InChIKeyCXXDUKKBFUFJDF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CSS)C(=O)O
CACTVS 3.370OC(=O)CCSS
ACDLabs 12.01O=C(O)CCSS
FormulaC3 H6 O2 S2
Name3-disulfanylpropanoic acid
ChEMBL
DrugBank
ZINC
PDB chain4kwl Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kwl Mechanistic implications of persulfenate and persulfide binding in the active site of cysteine dioxygenase.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		Y58 R60 L75 H86 H140 V142 H155 Y157
Binding residue
(residue number reindexed from 1)		Y55 R57 L72 H83 H137 V139 H152 Y154
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:0008270 zinc ion binding
GO:0016151 nickel cation 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
Biological Process
GO:0006534 cysteine metabolic process
GO:0007595 lactation
GO:0019448 L-cysteine catabolic process
GO:0033762 response to glucagon
GO:0042412 taurine biosynthetic process
GO:0043200 response to amino acid
GO:0045471 response to ethanol
GO:0046439 L-cysteine metabolic process
GO:0051384 response to glucocorticoid
GO:0051591 response to cAMP
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4kwl, PDBe:4kwl, PDBj:4kwl
PDBsum4kwl
PubMed24084026
UniProtP21816|CDO1_RAT Cysteine dioxygenase type 1 (Gene Name=Cdo1)

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