› 7aud

X-ray diffraction
2.96Å resolution

Structure of an engineered helicase domain construct for human Bloom syndrome protein (BLM)

Released:
DOI: 10.2210/pdb7aud/pdb
PDB entry 7aud coloured by chain, front view.
PDB entry 7aud coloured by chain, side view.
PDB entry 7aud coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Uncovering an allosteric mode of action for a selective inhibitor of human Bloom syndrome protein.
Chen X, Ali YI, Fisher CE, Arribas-Bosacoma R, Rajasekaran MB, Williams G, Walker S, Booth JR, Hudson JJ, Roe SM, Pearl LH, Ward SE, Pearl FM, Oliver AW
Elife 10 (2021)
PMID: 33647232

Function and Biology Details

Reaction catalysed: 
ATP + H(2)O = ADP + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-121087 (preferred)
Entry contents:
1 distinct polypeptide molecule
1 distinct DNA molecule
Macromolecules (2 distinct):
RecQ-like DNA helicase BLM Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 563 amino acids
Theoretical weight: 63.94 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P54132 (Residues: 636-1070, 1202-1298; Coverage: 38%)
Gene names: BLM, RECQ2, RECQL3
Sequence domains:
DNA (5'-D(*GP*TP*AP*CP*CP*CP*GP*AP*TP*GP*TP*GP*T)-3') Chains: M, N, O, P, Q, R
Molecule details ›
Chains: M, N, O, P, Q, R
Length: 15 nucleotides
Theoretical weight: 4.58 KDa

Ligands and Environments

5 bound ligands:
Ligand ZN 6 x ZN
Ligand ADP 6 x ADP
Ligand RY8 6 x RY8
Ligand PG4 7 x PG4
Ligand MG 6 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P1
Unit cell:
a: 84.916Å b: 111.709Å c: 132.344Å
α: 72.64° β: 80.18° γ: 79.22°
R-values:
R R work R free
0.231 0.229 0.269
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

AlphaFold, Artificial Intelligence (AI), and Allostery.
Nussinov et al. (2022)
6 other articles

1 mention without citation

Small Molecules Targeting DNA Polymerase Theta (POLθ) as Promising Synthetic Lethal Agents for Precision Cancer Therapy.
Pismataro et al. (2023)