PDBsum entry 3rdp

Transferase

PDB id: 3rdp

Contents

Protein chains

314 a.a.

Ligands

SO4 ×3

NMF ×2

Waters ×81

PDB id:

3rdp

Name:

Transferase

Title:

Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with n-methyl-fhbt

Structure:

Thymidine kinase. Chain: a, b. Fragment: unp residues 46-376. Engineered: yes

Source:

Human herpesvirus 1. Hhv-1. Organism_taxid: 10299. Strain: strain 17. Gene: tk, ul23. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

2.80Å R-factor: 0.202 R-free: 0.244

Authors:

L.Pernot,R.Perozzo,Y.Westermaier,M.Martic,S.Ametamey,L.Scapozza

Key ref:

M.Martić et al. (2011). Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo. Nucleosides Nucleotides Nucleic Acids, 30, 293-315. PubMed id: 21623543

Date:

01-Apr-11 Release date: 03-Aug-11

Protein chains

P0DTH5  (KITH_HHV11) -  Thymidine kinase from Human herpesvirus 1 (strain 17)

Seq: 376 a.a.

Struc: 314 a.a.*

* PDB and UniProt seqs differ at 2 residue positions (black crosses)

Enzyme reactions

• Enzyme class: E.C.2.7.1.21 - thymidine kinase.
• Reaction: thymidine + ATP = dTMP + ADP + H⁺

thymidine + ATP (Bound ligand (Het Group name = NMF) matches with 50.00% similarity) = dTMP + ADP + H(+)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

Nucleosides Nucleotides Nucleic Acids 30:293-315 (2011)

PubMed id: 21623543

Synthesis, crystal structure, and in vitro biological evaluation of C-6 pyrimidine derivatives: new lead structures for monitoring gene expression in vivo.

M.Martić, L.Pernot, Y.Westermaier, R.Perozzo, T.G.Kraljević, S.Krištafor, S.Raić-Malić, L.Scapozza, S.Ametamey.

ABSTRACT

No abstract given.