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MolNFT v1 · #117533 · protein

Crystal structure of DNA2 nuclease-helicase

5EAW · DNA replication ATP-dependent HELICASE/NUCLEASE DNA2: “Crystal structure of DNA2 nuclease-helicase”. X-ray diffraction, 2 ligands (SF4, ADP), 20 pockets (best druggability 0.78). MolNFT v1 #117533 on GenesisL1: 3D structure, binding…

PDB
5EAW
Type
protein
Length
2,092 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA replication ATP-dependent HELICASE/NUCLEASE DNA2
EC
3.1.-.-, 3.6.4.12
UniProt
Q6ZQJ5
Ligands
SF4, ADP
Pockets
20 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA replication ATP-dependent HELICASE/NUCLEASE DNA2 (EC 3.1.-.-, 3.6.4.12)protein104640% helix, 20% strandQ6ZQJ5

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · 2 copies · chains A, B
  • ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17500.780.8269empty
21270.780.9626empty
36570.780.8353empty
41330.780.9529empty
56870.720.7864empty

Interfaces

1 interface between chains.

  • A–B · 1638 Ų buried · 20 hydrogen bonds · protein-protein

Compared structures

  • 5EAW · Crystal structure of Dna2 nuclease-helicase · the same entry in another collection · chain A against A, TM-score 1.00
  • Q6ZQJ5 · AlphaFold monomer V2.0 prediction for DNA replication ATP-dependent HELICASE/NUCLEASE… · a predicted model of the same protein · chain B against A, TM-score 0.97

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