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MolNFT v1 · #182818 · protein

PCNA from thermococcus gammatolerans: crystal I, collection 1, 1.95 a, 5.22 mgy

7N5I · DNA polymerase sliding clamp: “PCNA from thermococcus gammatolerans: crystal I, collection 1, 1.95 a, 5.22 mgy”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.72). MolNFT v1 #182818 on GenesisL1: 3D structure…

PDB
7N5I
Type
protein
Length
990 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase sliding clamp
UniProt
C5A5N6
Ligands
SO4
Pockets
9 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 17% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DDNA polymerase sliding clampprotein24817% helix, 46% strandC5A5N6
B, CDNA polymerase sliding clampprotein24717% helix, 47% strandC5A5N6

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 18 copies · chains A, B, C, D
  • GOL · Glycerol · additive · 18 copies · chains A, D, B, C

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

Pockets

9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111140.720.76102GOL, SO4
24220.650.7854GOL
32440.520.7534GOL, SO4
4790.410.7916empty
5850.360.7520SO4

Interfaces

4 interfaces between chains.

  • A–B · 699 Ų buried · 13 hydrogen bonds · protein-protein
  • B–C · 593 Ų buried · 10 hydrogen bonds · protein-protein
  • A–D · 540 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 39 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7N5I · PCNA from Thermococcus gammatolerans: crystal I, collection 1, 1.95 A, 5.22 MGy · the same entry in another collection · chain A against A, TM-score 1.00
  • C5A5N6 · AlphaFold monomer V2.0 prediction for DNA polymerase sliding clamp (C5A5N6) · a predicted model of the same protein · chain A against A, TM-score 0.98

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