› 3n2i

X-ray diffraction
2.25Å resolution

2.25 Angstrom resolution crystal structure of a thymidylate kinase (tmk) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with thymidine

Released:
DOI: 10.2210/pdb3n2i/pdb
PDB entry 3n2i coloured by chain, front view.
PDB entry 3n2i coloured by chain, side view.
PDB entry 3n2i coloured by chain, top view.
Source organism: Vibrio cholerae O1 biovar El Tor str. N16961
Entry authors: Halavaty AS, Minasov G, Shuvalova L, Winsor J, Dubrovska I, Peterson S, Anderson WF, Center for Structural Genomics of Infectious Diseases (CSGID)

Function and Biology Details

Reaction catalysed: 
ATP + dTMP = ADP + dTDP
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-192035 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Thymidylate kinase Chains: A, B
Molecule details ›
Chains: A, B
Length: 236 amino acids
Theoretical weight: 26.44 KDa
Source organism: Vibrio cholerae O1 biovar El Tor str. N16961
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9KQI2 (Residues: 1-212; Coverage: 100%)
Gene names: VC_2016, tmk
Sequence domains: Thymidylate kinase
Structure domains: P-loop containing nucleotide triphosphate hydrolases

Ligands and Environments

2 bound ligands:
Ligand CL 2 x CL
Ligand THM 2 x THM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-G
Spacegroup: I4122
Unit cell:
a: 92.6Å b: 92.6Å c: 231.538Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.206 0.261
Expression system: Escherichia coli BL21(DE3)

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