Structure of PDB 4hr4 Chain A Binding Site BS02

Receptor Information
>4hr4 Chain A (length=286) Species: 235909 (Geobacillus kaustophilus HTA426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHHDGFQTVKATIDWEHPMFKLYEKAKRNGKWNPADIDFSQDQKDFASLT
SEEKISALPLVAGFSAGEEAVTLDILPMAHALARQGRLEDVLFLTTFMHD
EAKHVEMFSRWQQAVGIGQMDLSVFHNDHYKRIFYEALPEAMNRLYADDS
PEAVIRAATVYNMIVEGTLAESGYYTFRQIYKKAGLFPGLLQGIDYLNMD
EGRHIQFGIYTIQRIVNEDERYYELFIRYMDELWPHVIGYVDYLTELGKR
QQQLARTYALEIDYDLLRHYVIKQFNLRKKQISRTK
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 chain4hr4 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4hr4 Direct observation of structurally encoded metal discrimination and ether bond formation in a heterodinuclear metalloprotein
Resolution1.901 Å
Binding residue
(original residue number in PDB)		F98 E102 E167 E202 H205
Binding residue
(residue number reindexed from 1)		F97 E101 E166 E201 H204
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:4hr4, PDBe:4hr4, PDBj:4hr4
PDBsum4hr4
PubMed24101498
UniProtQ5KW80

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