Structure of PDB 4ier Chain A Binding Site BS02

Receptor Information
>4ier Chain A (length=186) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELLKPRTLADLIRILHELFAGDEVNVEEVQAVLEAYESNPAEWALYAKFD
QYRYTRNLVDQGNGKFNLMILCWGEGHGSSIHDHTDSHCFLKLLQGNLKE
TLFDWPDKKSNEMIKKSERTLRENQCAYINDSIGLHRVENVSHTEPAVSL
HLYSPPFDTCHAFDQRTGHKNKVTMTFHSKFGIRTP
Ligand information
Ligand ID2CO
InChIInChI=1S/C3H7NO4S/c4-2(3(5)6)1-9-8-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyBXTMIEGCNKHUKA-REOHCLBHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)SOO
ACDLabs 10.04O=C(O)C(N)CSOO
CACTVS 3.341N[C@@H](CSOO)C(O)=O
CACTVS 3.341N[CH](CSOO)C(O)=O
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)SOO
FormulaC3 H7 N O4 S
NameS-HYDROPEROXYCYSTEINE
ChEMBL
DrugBank
ZINCZINC000058632536
PDB chain4ier Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ier Cysteine Dioxygenase Structures from pH4 to 9: Consistent Cys-Persulfenate Formation at Intermediate pH and a Cys-Bound Enzyme at Higher pH.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		Y58 R60 H86 H88 C93 H140 H155 Y157
Binding residue
(residue number reindexed from 1)		Y54 R56 H82 H84 C89 H136 H151 Y153
Annotation score2
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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Biological Process
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Cellular Component
External links
PDB RCSB:4ier, PDBe:4ier, PDBj:4ier
PDBsum4ier
PubMed23747973
UniProtP21816|CDO1_RAT Cysteine dioxygenase type 1 (Gene Name=Cdo1)

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