Structure of PDB 4s35 Chain B Binding Site BS03

Receptor Information
>4s35 Chain B (length=194) Species: 224324 (Aquifex aeolicus VF5) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MLIAFEGIDGSGKTTQAKKLYEYLKQKGYFVSLYREPGGTKVGEVLREIL
LTEELDERTELLLFEASRSKLIEEKIIPDLKRDKVVILDRFVLSTIAYQG
YGKGLDVEFIKNLNEFATRGVKPDITLLLDIPVDIALRRLKEKNRFENKE
FLEKVRKGFLELAKEEENVVVIDASGEEEEVFKEILRALSGVLR
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 chain4s35 Chain B Residue 204 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4s35 Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
Resolution1.55 Å
Binding residue
(original residue number in PDB)		V133 E153 R156
Binding residue
(residue number reindexed from 1)		V133 E153 R156
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.4.9: dTMP kinase.
Gene Ontology
Molecular Function
GO:0004798 thymidylate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0006227 dUDP biosynthetic process
GO:0006233 dTDP biosynthetic process
GO:0006235 dTTP biosynthetic process
GO:0009165 nucleotide biosynthetic process
GO:0016310 phosphorylation
GO:0046940 nucleoside monophosphate phosphorylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4s35, PDBe:4s35, PDBj:4s35
PDBsum4s35
PubMed28627020
UniProtO67099|KTHY_AQUAE Thymidylate kinase (Gene Name=tmk)

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