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MolNFT v1 · #119068 · protein + DNA

Cryo-EM structure of the E. COLI replicative DNA polymerase complex bound to DNA (DNA polymerase III alpha, beta, epsilon)

5FKW: “Cryo-EM structure of the E. COLI replicative DNA polymerase complex bound to DNA (DNA polymerase III alpha…”. Electron microscopy, 20 pockets (best druggability 0.80). MolNFT v1 #119068 on GenesisL1: 3D structure, binding sites and…

PDB
5FKW
Type
protein + DNA
Length
1,929 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase III alpha; DNA polymerase III beta; DNA polymerase III epsilon…
EC
2.7.7.7
UniProt
P10443, P0A988, P03007
Pockets
20 · best druggability 0.80

Structure

electron microscopy · 5 distinct chains · 43% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase III alpha (EC 2.7.7.7)protein92752% helix, 9% strandP10443
B, CDNA polymerase III beta (EC 2.7.7.7)protein36622% helix, 46% strandP0A988
DDNA polymerase III epsilon (EC 2.7.7.7)protein21940% helix, 15% strandP03007
PPrimer-template duplex DNAdna25——
TPrimer-template duplex DNAdna26——

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18980.800.83102empty
2930.780.9823empty
37910.780.8295empty
4660.750.9819empty
511470.750.78105empty

Interfaces

12 interfaces between chains.

  • A–D · 1688 Ų buried · 17 hydrogen bonds · protein-protein
  • B–C · 1438 Ų buried · 30 hydrogen bonds · protein-protein
  • P–T · 1165 Ų buried · 104 hydrogen bonds · nucleic-nucleic
  • B–D · 961 Ų buried · 10 hydrogen bonds · protein-protein
  • A–C · 781 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 5FKW · cryo-EM structure of the E. coli replicative DNA polymerase complex bound to DNA (DNA… · 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 C against A, TM-score 0.98
  • P10443 · AlphaFold monomer V2.0 prediction for DNA polymerase III subunit alpha (P10443) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • P03007 · AlphaFold monomer V2.0 prediction for DNA polymerase III subunit epsilon (P03007) · a predicted model of the same protein · chain D against A, TM-score 0.78

Analyse

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