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MolNFT v1 · #11567 · protein

Mechanism of processivity clamp opening by the delta subunit wrench of the clamp loader complex of E. COLI DNA polymerase III: structure of the beta-delta complex

1JQJ · DNA polymerase III, beta chain: “Mechanism of processivity clamp opening by the delta subunit wrench of the clamp loader complex of E. COLI…”. X-ray diffraction, 16 pockets (best druggability 0.49). MolNFT v1 #11567 on GenesisL1: 3D…

PDB
1JQJ
Type
protein
Length
1,385 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase III, beta chain; DNA polymerase III, delta subunit
EC
2.7.7.7
UniProt
P0A988, P28630
Pockets
16 · best druggability 0.49

Structure

x-ray diffraction · 3 distinct chains · 40% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BDNA polymerase III, beta chain (EC 2.7.7.7)protein36620% helix, 40% strandP0A988
CDNA polymerase III, delta subunit (EC 2.7.7.7)protein32850% helix, 10% strandP28630
DDNA polymerase III, delta subunit (EC 2.7.7.7)protein32551% helix, 10% strandP28630

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12000.490.7639empty
21970.490.7635empty
31660.490.7724empty
4690.480.8318empty
51580.460.7623empty

Interfaces

3 interfaces between chains.

  • A–C · 992 Ų buried · 16 hydrogen bonds · protein-protein
  • B–D · 952 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 82 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1JQJ · Mechanism of Processivity Clamp Opening by the Delta Subunit Wrench of the Clamp Loader… · the same entry in another collection · chain D against D, TM-score 1.00
  • P0A988 · AlphaFold monomer V2.0 prediction for beta sliding clamp (P0A988) · a predicted model of the same protein · chain A against A, TM-score 0.95
  • P28630 · AlphaFold monomer V2.0 prediction for DNA polymerase III subunit delta (P28630) · a predicted model of the same protein · chain D against A, TM-score 0.67

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