Structure of PDB 4qgh Chain B

Receptor sequence
>4qghB (length=198) Species: 282458 (Staphylococcus aureus subsp. aureus MRSA252) [Search protein sequence]
SAFITFEGPEGSGKTTVINEVYHRLVKDYDVIMTREPGGVPTGEEIRKIV
LEGNDMDIRTEAMLFAASRREHLVLKVIPALKEGKVVLCDRYIDSSLAYQ
GYARGIGVEEVRALNEFAINGLYPDLTIYLNVSAEVGRERIIKRLDQEDL
KFHEKVIEGYQEIIHNESQRFKSVNADQPLENVVEDTYQTIIKYLEKI
3D structure
PDB4qgh Antibacterial inhibitors of gram-positive thymidylate kinase: structure-activity relationships and chiral preference of a new hydrophobic binding region.
ChainB
Resolution1.78 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.7.4.9: dTMP kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 32E B E37 R48 L52 F66 R70 R92 S96 S97 Y100 Q101 E36 R47 L51 F65 R69 R91 S95 S96 Y99 Q100 MOAD: ic50=1nM
PDBbind-CN: -logKd/Ki=9.00,IC50=1nM
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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Cellular Component
External links
PDB RCSB:4qgh, PDBe:4qgh, PDBj:4qgh
PDBsum4qgh
PubMed24828090
UniProtQ6GJI9|KTHY_STAAR Thymidylate kinase (Gene Name=tmk)

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