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Pandda analysis group deposition -- crystal structure of DCLRE1A after initial refinement with no ligand modelled (structure 281)

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
5Q9Z
Type
protein
Length
341 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DCLRE1A
UniProt
Q6PJP8
Ligands
NI
Pockets
4 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADCLRE1Aprotein34136% helix, 23% 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12280.580.7939MLI
21230.370.7324empty
3700.310.7416empty
4530.290.7514empty

Compared structures

  • 5Q9Z · 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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