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Human exonuclease 5 crystal structure (T88E) in complex with ssdna and mg

Analyse Human exonuclease 5 crystal structure (T88E) in complex with ssdna and mg in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7LWA
Type
protein + DNA
Length
261 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Exonuclease V; DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3')
EC
3.1.-.-
UniProt
Q9H790
Ligands
SF4, MG
Pockets
5 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AExonuclease V (EC 3.1.-.-)protein25847% helix, 19% strandQ9H790
BDNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3')dna3——

Ligands and binding sites

  • SF4 · Iron/sulfur cluster · ligand · chains A
  • MG · Magnesium ion · metal · chains A, B
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12120.490.7522empty
21020.390.7615empty
3940.370.7619empty
4670.330.7617empty
5670.310.7516empty

Interfaces

1 interface between chains.

  • A–B · 356 Ų buried · 7 hydrogen bonds · protein-nucleic

Compared structures

  • 7LWA · Human Exonuclease 5 crystal structure (T88E) in complex with ssDNA and Mg · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9H790 · AlphaFold monomer V2.0 prediction for exonuclease V (Q9H790) · a predicted model of the same protein · chain A against A, TM-score 0.97

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