Structure of PDB 2yf3 Chain A Binding Site BS01

Receptor Information
>2yf3 Chain A (length=150) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIDPFTMSDLPCPPTNAERLHEFHRAIGAATPERPTPPPPELLRLRQTLL
DEESAEVRAEIDHLLARQAAGEALSAGDLAPLAHELADLLYVTYGALDQL
GIDADAVFAEVHRANLSKASGPRRADGKQLKPEGWRPADVRGVIERLQHA
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 chain2yf3 Chain A Residue 1145 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2yf3 Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E47 E50 E79 D82
Binding residue
(residue number reindexed from 1)		E53 E56 E85 D88
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.1.19: Transferred entry: 3.6.1.9.
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:0047429 nucleoside triphosphate diphosphatase activity

View graph for
Molecular Function
External links
PDB RCSB:2yf3, PDBe:2yf3, PDBj:2yf3
PDBsum2yf3
PubMed21733847
UniProtQ9RS96

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