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MolNFT v1 · #40585 · protein

Crystal structure of the heterotrimeric PCNA from sulfolobus solfataricus

2IX2 · DNA polymerase sliding clamp B: “Crystal structure of the heterotrimeric PCNA from sulfolobus solfataricus”. X-ray diffraction, 5 pockets (best druggability 0.48). MolNFT v1 #40585 on GenesisL1: 3D structure, binding sites and…

PDB
2IX2
Type
protein
Length
712 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase sliding clamp B; DNA polymerase sliding clamp C; DNA polymerase sliding…
UniProt
P57766, Q97Z84, P57765
Pockets
5 · best druggability 0.48

Structure

x-ray diffraction · 3 distinct chains · 21% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase sliding clamp Bprotein22620% helix, 47% strandP57766
BDNA polymerase sliding clamp Cprotein24521% helix, 45% strandQ97Z84
CDNA polymerase sliding clamp aprotein24121% helix, 44% strandP57765

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1690.480.8420empty
21500.470.7725empty
3830.410.7825empty
4530.340.7813empty
5630.320.7619empty

Interfaces

3 interfaces between chains.

  • B–C · 657 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 595 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 586 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 2IX2 · Crystal structure of the heterotrimeric PCNA from Sulfolobus solfataricus · the same entry in another collection · chain A against A, TM-score 1.00
  • Q97Z84 · AlphaFold monomer V2.0 prediction for DNA polymerase sliding clamp 2 (Q97Z84) · a predicted model of the same protein · chain B against A, TM-score 0.98
  • P57766 · AlphaFold monomer V2.0 prediction for DNA polymerase sliding clamp 1 (P57766) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • P57765 · AlphaFold monomer V2.0 prediction for DNA polymerase sliding clamp 3 (P57765) · a predicted model of the same protein · chain C against A, TM-score 0.94

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