Structure of PDB 2yfd Chain A Binding Site BS01

Receptor Information
>2yfd Chain A (length=138) 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]
PPTNAERLHEFHRAIGATPERPTPPPPELLRLRQTLLDEESAEVRAEIDH
LLARQAAGEALSAGDLAPLAHELADLLYVTYGALDQLGIDADAVFAEVHR
ANLSKASGPRRADGKQLKPEGWRPADVRGVIERLQHAP
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain2yfd Chain A Residue 1146 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2yfd Structural and Functional Insights Into Dr2231 Protein, the Mazg-Like Nucleoside Triphosphate Pyrophosphohydrolase from Deinococcus Radiodurans.
Resolution1.767 Å
Binding residue
(original residue number in PDB)		E47 E50 E79 D82
Binding residue
(residue number reindexed from 1)		E40 E43 E72 D75
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:2yfd, PDBe:2yfd, PDBj:2yfd
PDBsum2yfd
PubMed21733847
UniProtQ9RS96

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