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DNA polymerase polc from geobacillus kaustophilus complex with DNA, dgtp and mn

Analyse DNA polymerase polc from geobacillus kaustophilus complex with DNA, dgtp and mn in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3F2C
Type
protein + DNA
Length
1,024 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Geobacillus kaustophilus DNA polc; 5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*D…
EC
2.7.7.7
UniProt
Q5L0J3
Ligands
DGT, MN, ZN, SO4
Pockets
9 · best druggability 0.75

Structure

x-ray diffraction · 3 distinct chains · 44% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGeobacillus kaustophilus DNA polc (EC 2.7.7.7)protein99344% helix, 16% strandQ5L0J3
P5'-D(*DCP*DAP*DGP*DTP*DGP*DAP*DGP*DAP*DCP*DGP*DGP*DGP*DCP*D AP*DAP*DCP*DC)-3'dna13——
T5'-D(*DAP*DTP*DAP*DAP*DCP*DGP*DGP*DTP*DTP*DGP*DCP*DCP*DCP*D GP*DTP*DCP*DTP*DCP*DAP*DCP*DTP*DG)-3'dna18——

Ligands and binding sites

  • DGT · 2'-deoxyguanosine-5'-triphosphate · ligand · chains A, P, T
  • MN · Manganese (II) ion · metal · 3 copies · chains A
  • ZN · Zinc ion · metal · chains A
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19790.750.7874empty
27200.740.8089MN, SO4
35320.690.7947empty
43720.680.8129MN, DGT
53610.580.7533empty

Interfaces

3 interfaces between chains.

  • A–T · 1150 Ų buried · 18 hydrogen bonds · protein-nucleic
  • A–P · 724 Ų buried · 16 hydrogen bonds · protein-nucleic
  • P–T · 579 Ų buried · 48 hydrogen bonds · nucleic-nucleic

Compared structures

  • 3F2C · DNA Polymerase PolC from Geobacillus kaustophilus complex with DNA, dGTP and Mn · the same entry in another collection · chain A against A, TM-score 1.00

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