Structure of PDB 6f6e Chain A Binding Site BS01

Receptor Information
>6f6e Chain A (length=284) Species: 235909 (Geobacillus kaustophilus HTA426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHDGFQTVKATIDWEHPMFKLYEKAKRNGKWNPADIDFSQDQKDFASLTS
EEKISALPLVAGFSAGEEAATLDILPMAHALARQGRLEDVLFLTTFMHDE
AKHVEMFSRWQQAVGIGQMDLSVFHNDHYKRIFYEALPEAMNRLYADDSP
EAVIRAATVYNMIVEGTLAESGYYTFRQIYKKAGLFPGLLQGIDYLNMDE
GRHIQFGIYTIQRIVNEDERYYELFIRYMDELWPHVIGYVDYLTELGKRQ
QQLARTYALEIDYDLLRHYVIKQFNLRKKQISRT
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 chain6f6e Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6f6e Ether cross-link formation in the R2-like ligand-binding oxidase.
Resolution1.627 Å
Binding residue
(original residue number in PDB)		F98 E102 E167 E202 H205
Binding residue
(residue number reindexed from 1)		F96 E100 E165 E200 H203
Annotation score1
Enzymatic activity
Enzyme Commision number 1.17.4.1: ribonucleoside-diphosphate reductase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0009263 deoxyribonucleotide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:6f6e, PDBe:6f6e, PDBj:6f6e
PDBsum6f6e
PubMed29946980
UniProtQ5KW80

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