Structure of PDB 5x8d Chain B Binding Site BS01

Receptor Information
>5x8d Chain B (length=184) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PGLFLTLEGLDGSGKTTQARRLAAFLEAQGRPVLLTREPGGGLPEVRSLL
LTQELSPEAEYLLFSADRAEHVRKVILPGLAAGKVVISLRYLDSSLAYQG
YGRGLPLPWLREVAREATRGLKPRLTFLLDLPPEAALGLEFFRRVREGYL
ALARAEPGRFVVLDATLPEEEIARAIQAHLRPLL
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 chain5x8d Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB5x8d Structural and functional roles of dynamically correlated residues in thymidylate kinase.
Resolution2.26 Å
Binding residue
(original residue number in PDB)		Y62 S66 R69 A115
Binding residue
(residue number reindexed from 1)		Y61 S65 R68 A114
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5x8d, PDBe:5x8d, PDBj:5x8d
PDBsum5x8d
PubMed29652261
UniProtQ5SHX3|KTHY_THET8 Thymidylate kinase (Gene Name=tmk)

[Back to BioLiP]