› 4n5s

X-ray diffraction
1.67Å resolution

Ternary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant (Cs3C KlenTaq) with DNA and ddCTP

Released:
DOI: 10.2210/pdb4n5s/pdb
PDB entry 4n5s coloured by chain, front view.
PDB entry 4n5s coloured by chain, side view.
PDB entry 4n5s coloured by chain, top view.
Source organism: Thermus aquaticus
Primary publication:
A conservative isoleucine to leucine mutation causes major rearrangements and cold sensitivity in KlenTaq1 DNA polymerase.
Wu EY, Walsh AR, Materne EC, Hiltner EP, Zielinski B, Miller BR, Mawby L, Modeste E, Parish CA, Barnes WM, Kermekchiev MB
Biochemistry 54 881-9 (2015)
PMID: 25537790

Function and Biology Details

Reaction catalysed: 
Deoxynucleoside triphosphate + DNA(n) = diphosphate + DNA(n+1)
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-117866 (preferred)
Entry contents:
1 distinct polypeptide molecule
2 distinct DNA molecules
Macromolecules (3 distinct):
DNA polymerase I, thermostable Chain: A
Molecule details ›
Chain: A
Length: 553 amino acids
Theoretical weight: 62.43 KDa
Source organism: Thermus aquaticus
Expression system: Escherichia coli
UniProt:
  • Canonical: P19821 (Residues: 281-832; Coverage: 66%)
Gene names: pol1, polA
Sequence domains:
Structure domains:
5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3' Chain: B
Molecule details ›
Chain: B
Length: 12 nucleotides
Theoretical weight: 3.62 KDa
Source organism: Thermus aquaticus
Expression system: Not provided
5'-D(*AP*A*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3' Chain: C
Molecule details ›
Chain: C
Length: 16 nucleotides
Theoretical weight: 4.96 KDa
Source organism: Thermus aquaticus
Expression system: Not provided

Ligands and Environments

6 bound ligands:
Ligand MN 6 x MN
Ligand MG 1 x MG
Ligand DCT 1 x DCT
Ligand EPE 1 x EPE
Ligand ACT 2 x ACT
Ligand GOL 1 x GOL
1 modified residue:
Ligand DOC 1 x DOC

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P3121
Unit cell:
a: 107.657Å b: 107.657Å c: 89.659Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.163 0.161 0.192
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

2 review citations

Engineering Polymerases for New Functions.
Coulther et al. (2019)
1 more

1 mention without citation

A conservative isoleucine to leucine mutation causes major rearrangements and cold sensitivity in KlenTaq1 DNA polymerase.
Wu et al. (2015)