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Structure of the replicating complex of a pol alpha family DNA polymerase, ternary complex 1

Analyse Structure of the replicating complex of a pol alpha family DNA polymerase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3CFP
Type
protein + DNA
Length
933 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'- D(*DAP*DCP*DAP*DGP*DGP*DTP*DAP*DAP*DGP*DCP*DAP*DGP*DTP*DCP*DCP*DGP*DC P*DG)-3')…
EC
2.7.7.7
UniProt
Q38087
Ligands
TTP, CA, CL
Pockets
10 · best druggability 0.84

Structure

x-ray diffraction · 3 distinct chains · 43% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
TDNA (5'- D(*DAP*DCP*DAP*DGP*DGP*DTP*DAP*DAP*DGP*DCP*DAP*DGP*DTP*DCP*DCP*DGP*DC P*DG)-3')dna18——
PDNA (5'- D(*DGP*DCP*DGP*DGP*DAP*DCP*DTP*DGP*DCP*DTP*DTP*DAP*DCP*(DOC))-3')dna14——
ADNA polymerase (EC 2.7.7.7)protein90143% helix, 18% strandQ38087

Ligands and binding sites

  • TTP · Thymidine-5'-triphosphate · ligand · chains T, P, A
  • CA · Calcium ion · metal · 4 copies · chains A, P
  • CL · Chloride ion · ion · chains A

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

Pockets

10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13030.840.9429empty
211660.780.8089CA
39390.770.8086CA, TTP
43030.590.7834empty
51170.580.8421empty

Interfaces

3 interfaces between chains.

  • T–A · 1125 Ų buried · 20 hydrogen bonds · protein-nucleic
  • P–A · 720 Ų buried · 16 hydrogen bonds · protein-nucleic
  • T–P · 630 Ų buried · 63 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 3CFP · Structure of the replicating complex of a POL Alpha family DNA Polymerase, ternary… · the same entry in another collection · chain T against T, TM-score 1.00

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