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MolNFT v1 · #191068 · protein

Crystal structure of human RECQL5 helicase apo form in complex with engineered nanobody (gluebody) G3-052

7ZMO · ATP-dependent DNA helicase Q5: “Crystal structure of human RECQL5 helicase apo form in complex with engineered nanobody (gluebody) G3-052”. X-ray diffraction, 2 ligands (ZN, SO4), 11 pockets (best druggability 0.64). MolNFT v1…

PDB
7ZMO
Type
protein
Length
1,130 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP-dependent DNA helicase Q5; Gluebody G3-052
EC
3.6.4.12
UniProt
O94762
Ligands
ZN, SO4
Pockets
11 · best druggability 0.64

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BATP-dependent DNA helicase Q5 (EC 3.6.4.12)protein44149% helix, 14% strandO94762
K, CGluebody G3-052protein1240% helix, 63% strand—

Ligands and binding sites

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

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15480.640.7671empty
25070.630.7552empty
31360.450.7725SO4
4530.410.8219empty
5880.400.7821empty

Interfaces

3 interfaces between chains.

  • A–K · 746 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 693 Ų buried · 6 hydrogen bonds · protein-protein
  • K–C · 527 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 7ZMO · 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 0.73

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