Structure of PDB 6bpu Chain A Binding Site BS01

Receptor Information
>6bpu Chain A (length=187) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EVLKPRTLADLIRILHQLFAGDEVNVEEVQAIMEAYESDPTEWAMYAKFD
QYRYTRNLVDQGNGKFNLMILCWGEGHGSSIHDHTNSHCFLKMLQGNLKE
TLFAWPDKKSNEMVKKSERVLRENQCAYINDSVGLHRVENISHTEPAVSL
HLYSPPFDTCHAFDQRTGHKNKVTMTFHSKFGIRTPN
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain6bpu Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6bpu Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Resolution1.8 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:0000097 sulfur amino acid biosynthetic process
GO:0006534 cysteine metabolic process
GO:0006954 inflammatory response
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: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:6bpu, PDBe:6bpu, PDBj:6bpu
PDBsum6bpu
PubMed29942080
UniProtQ16878|CDO1_HUMAN Cysteine dioxygenase type 1 (Gene Name=CDO1)

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