› 2ih4

X-ray diffraction
2.1Å resolution

Crystal structure of the adenine-specific DNA methyltransferase M.TaqI complexed with the cofactor analog AETA and a 10 bp DNA containing pyrrolo-dC at the target base partner position

Released:
DOI: 10.2210/pdb2ih4/pdb
PDB entry 2ih4 coloured by chain, front view.
PDB entry 2ih4 coloured by chain, side view.
PDB entry 2ih4 coloured by chain, top view.
Source organism: Thermus aquaticus
Entry authors: Lenz T, Scheidig AJ, Weinhold E

Function and Biology Details

Reaction catalysed: 
S-adenosyl-L-methionine + adenine in DNA = S-adenosyl-L-homocysteine + N-6-methyladenine in DNA
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-115398 (preferred)
Entry contents:
1 distinct polypeptide molecule
2 distinct DNA molecules
Macromolecules (3 distinct):
Type II methyltransferase M.TaqI Chains: A, D
Molecule details ›
Chains: A, D
Length: 421 amino acids
Theoretical weight: 47.93 KDa
Source organism: Thermus aquaticus
Expression system: Escherichia coli
UniProt:
  • Canonical: P14385 (Residues: 1-421; Coverage: 100%)
Gene name: taqIM
Sequence domains:
Structure domains:
5'-D(*GP*TP*TP*CP*GP*AP*TP*GP*TP*C)-3' Chains: B, E
Molecule details ›
Chains: B, E
Length: 10 nucleotides
Theoretical weight: 3.05 KDa
Source organism: Thermus aquaticus
Expression system: Not provided
5'-D(*GP*AP*CP*AP*(4PC)P*CP*GP*(6MA)P*AP*C)-3' Chains: C, F
Molecule details ›
Chains: C, F
Length: 10 nucleotides
Theoretical weight: 3.08 KDa
Source organism: Thermus aquaticus
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand NEA 2 x NEA
Ligand GOL 2 x GOL
2 modified residues:
Ligand 4PC 2 x 4PC
Ligand 6MA 2 x 6MA

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-3
Spacegroup: P21
Unit cell:
a: 59.197Å b: 66.576Å c: 111.308Å
α: 90° β: 90.99° γ: 90°
R-values:
R R work R free
0.209 0.206 0.265
Expression systems:
  • Escherichia coli
  • Not provided

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