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PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 191)

Analyse PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5Q7I
Type
protein
Length
341 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.26
Source
Homo sapiens
Molecule
DCLRE1A
UniProt
Q6PJP8
Ligands
NI
Pockets
5 · best druggability 0.58

Structure

x-ray diffraction · resolution 1.26 · 1 distinct chain · 34% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADCLRE1Aprotein34134% helix, 22% strandQ6PJP8

Ligands and binding sites

  • NI · Nickel (II) ion · metal · chains A
  • MLI · Malonate ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12230.580.8039MLI
2670.360.7818empty
3730.330.7518empty
4950.330.7318empty
5530.300.7514empty

Compared structures

  • 5Q7I · Pandda analysis group deposition -- crystal structure of DCLRE1A after initial refinement… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q6PJP8 · AlphaFold monomer V2.0 prediction for DNA cross-link repair 1A protein (Q6PJP8) · a predicted model of the same protein · chain A against A, TM-score 1.00

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