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Crystal structure analysis of PCNA from thermococcus kodakaraensis TK0582

Analyse Crystal structure analysis of PCNA from thermococcus kodakaraensis TK0582 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3LX2
Type
protein
Length
739 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase sliding clamp 2
UniProt
Q5JFD3
Ligands
SO4
Pockets
13 · best druggability 0.55

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase sliding clamp 2protein24718% helix, 45% strandQ5JFD3
B, CDNA polymerase sliding clamp 2protein24618% helix, 46% strandQ5JFD3

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11260.550.8223empty
21340.540.8119empty
3710.510.8619empty
41140.510.8119empty
51030.430.7822empty

Interfaces

3 interfaces between chains.

  • B–C · 769 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 726 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 704 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 3LX2 · Crystal Structure analysis of PCNA from Thermococcus kodakaraensis tk0582 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5JFD3 · AlphaFold monomer V2.0 prediction for DNA polymerase sliding clamp 2 (Q5JFD3) · a predicted model of the same protein · chain A against A, TM-score 0.99

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