Structure of PDB 4hr0 Chain A Binding Site BS01

Receptor Information
>4hr0 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 IDMN3
InChIInChI=1S/Mn/q+3
InChIKeyMMIPFLVOWGHZQD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Mn+3]
FormulaMn
NameMANGANESE (III) ION
ChEMBL
DrugBank
ZINC
PDB chain4hr0 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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PDB4hr0 Direct observation of structurally encoded metal discrimination and ether bond formation in a heterodinuclear metalloprotein
Resolution1.896 Å
Binding residue
(original residue number in PDB)		E69 E102 H105
Binding residue
(residue number reindexed from 1)		E68 E101 H104
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:4hr0, PDBe:4hr0, PDBj:4hr0
PDBsum4hr0
PubMed24101498
UniProtQ5KW80

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