Structure of PDB 4xf4 Chain A Binding Site BS01

Receptor Information
>4xf4 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 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 chain4xf4 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xf4 Structure-Based Insights into the Role of the Cys-Tyr Crosslink and Inhibitor Recognition by Mammalian Cysteine Dioxygenase.
Resolution1.3485 Å
Binding residue
(original residue number in PDB)		H86 H88 H140
Binding residue
(residue number reindexed from 1)		H82 H84 H136
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:4xf4, PDBe:4xf4, PDBj:4xf4
PDBsum4xf4
PubMed27477048
UniProtP21816|CDO1_RAT Cysteine dioxygenase type 1 (Gene Name=Cdo1)

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