Structure of PDB 6i95 Chain A Binding Site BS01

Receptor Information
>6i95 Chain A (length=275) Species: 235909 (Geobacillus kaustophilus HTA426) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VHHDGFQTVKATIDWEHPMFKLYEKAKRNGKWNPADIDFSQDQKDFASLT
SEEKISALPLVAGFSALEEAVTLDILPMAHALARQGRLEDVLFLTTFMHD
EAKHVEMFSRWQQAVGIGQMDLSVFHNDHYKRIFYEALPEAMNRLYADDS
PEAVIRAATVYNMIVEGTLAESGYYTFRQIYKKAGLFPGLLQGIDYLNMD
EGRHIQFGIYTIQRIVNEDERYYELFIRYMDELWPHVIGYVDYLTELGKR
QIDYDLLRHYVIKQFNLRKKQISRT
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain6i95 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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PDB6i95 Chemical flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteins.
Resolution1.646 Å
Binding residue
(original residue number in PDB)		E69 E102 H105 E202
Binding residue
(residue number reindexed from 1)		E68 E101 H104 E201
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:6i95, PDBe:6i95, PDBj:6i95
PDBsum6i95
PubMed31591267
UniProtQ5KW80

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