Structure of PDB 5u2i Chain D Binding Site BS01

Receptor Information
>5u2i Chain D (length=151) Species: 5763 (Naegleria fowleri) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MSNERTFIALKPDAVQRGLVGTIIARFEQKGFKLVALKLITPSADLAKKH
YAEHDGKPFFNGLVEFLTSGPVAAMVWEGKGVVAAARKMIGATKPLESAP
GTIRGDFAIDVGRNIIHGSDAVETAQREIALWFQDSELNEWTPTQNKWIY
E
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 chain5u2i Chain D Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5u2i Crystal structure of a nucleoside diphosphate kinase from Naegleria fowleri
Resolution1.4 Å
Binding residue
(original residue number in PDB)		D55 G56
Binding residue
(residue number reindexed from 1)		D55 G56
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.4.6: nucleoside-diphosphate kinase.
Gene Ontology
Molecular Function
GO:0004550 nucleoside diphosphate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006183 GTP biosynthetic process
GO:0006228 UTP biosynthetic process
GO:0006241 CTP biosynthetic process
GO:0009142 nucleoside triphosphate biosynthetic process
GO:0016310 phosphorylation

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Molecular Function
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Biological Process
External links
PDB RCSB:5u2i, PDBe:5u2i, PDBj:5u2i
PDBsum5u2i
PubMed
UniProtA0A1S4NYF9

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