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MolNFT v1 · #126396 · protein + DNA

Cryo-EM structure of the E. COLI replicative DNA polymerase-clamp- exonuclase-theta complex bound to DNA in the editing mode

5M1S · DNA polymerase III subunit alpha: “Cryo-EM structure of the E. COLI replicative DNA polymerase-clamp- exonuclase-theta complex bound to DNA in…”. Electron microscopy, 20 pockets (best druggability 0.82). MolNFT v1 #126396 on…

PDB
5M1S
Type
protein + DNA
Length
1,983 residues
Chains
7
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase III subunit alpha; DNA polymerase III subunit beta; DNA polymerase III…
EC
2.7.7.7
UniProt
P10443, P0A988, P03007, P0ABS8
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 6 distinct chains · 45% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase III subunit alpha (EC 2.7.7.7)protein92754% helix, 7% strandP10443
B, CDNA polymerase III subunit beta (EC 2.7.7.7)protein36622% helix, 44% strandP0A988
DDNA polymerase III subunit epsilon (EC 2.7.7.7)protein22938% helix, 7% strandP03007
PDNA primer stranddna17——
TDNA template stranddna22——
FDNA polymerase III subunit theta (EC 2.7.7.7)protein5675% helix, 0% strandP0ABS8

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11680.820.9729empty
21530.820.9738empty
3940.780.9829empty
410940.780.8098empty
5800.770.9827empty

Interfaces

14 interfaces between chains.

  • A–D · 2155 Ų buried · 20 hydrogen bonds · protein-protein
  • B–C · 1495 Ų buried · 26 hydrogen bonds · protein-protein
  • B–D · 994 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 786 Ų buried · 14 hydrogen bonds · protein-protein
  • A–T · 770 Ų buried · 6 hydrogen bonds · protein-nucleic

Compared structures

  • 5M1S · Cryo-EM structure of the E. coli replicative DNA polymerase-clamp-exonuclase-theta… · the same entry in another collection · chain F against F, TM-score 1.00
  • 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 0.98
  • P0A988 · AlphaFold monomer V2.0 prediction for beta sliding clamp (P0A988) · a predicted model of the same protein · chain B 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 0.73
  • P0ABS8 · AlphaFold monomer V2.0 prediction for DNA polymerase III subunit theta (P0ABS8) · a predicted model of the same protein · chain F against A, TM-score 0.72

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