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Crystal structure of human RECQL5 helicase apo form in complex with engineered nanobody (gluebody) G2*-011

Analyse Crystal structure of human RECQL5 helicase apo form in complex with engineered… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7ZMR
Type
protein
Length
1,128 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP-dependent DNA helicase Q5; Gluebody G2*-011
EC
3.6.4.12
UniProt
O94762
Ligands
ZN, SO4
Pockets
7 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BATP-dependent DNA helicase Q5 (EC 3.6.4.12)protein44048% helix, 16% strandO94762
K, CGluebody G2*-011protein1242% helix, 62% strand—

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 5 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15750.650.7665empty
25200.630.7558empty
31540.440.7529SO4
41150.380.7424SO4
5590.300.7517empty

Interfaces

3 interfaces between chains.

  • B–C · 846 Ų buried · 16 hydrogen bonds · protein-protein
  • A–K · 796 Ų buried · 15 hydrogen bonds · protein-protein
  • K–C · 562 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 7ZMR · Crystal structure of human RECQL5 helicase APO form in complex with engineered nanobody… · the same entry in another collection · chain A against A, TM-score 1.00
  • O94762 · AlphaFold monomer V2.0 prediction for ATP-dependent DNA helicase Q5 (O94762) · a predicted model of the same protein · chain A against A, TM-score 0.72

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