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Closed, ternary structure of KOD DNA polymerase

Analyse Closed, ternary structure of KOD DNA polymerase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5OMF
Type
protein + DNA
Length
782 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.092
Source
Thermococcus kodakarensis (strain ATCC BAA-918 / JCM 12380 / KOD1); SYNTHETIC…
Molecule
DNA polymerase,DNA polymerase,DNA polymerase; DNA…
EC
2.7.7.7, 3.1.-.-
UniProt
P77933
Ligands
DTP, MN, MG
Pockets
7 · best druggability 0.77

Structure

x-ray diffraction · resolution 2.092 · 3 distinct chains · 42% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase,DNA polymerase,DNA polymerase (EC 2.7.7.7, 3.1.-.-)protein75642% helix, 23% strandP77933
TDNA (5'-D(P*CP*TP*GP*TP*GP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3')dna14——
PDNA (5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*CP*AP*C)-3')dna12——

Ligands and binding sites

  • DTP · 2'-deoxyadenosine 5'-triphosphate · ligand · chains A, T, P
  • MN · Manganese (II) ion · metal · 2 copies · chains A
  • MG · Magnesium ion · metal · chains A, P
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A, T
  • GOL · Glycerol · additive · 3 copies · chains A, P, T

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

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18900.770.8082MN, MG, GOL, DTP
21820.760.9335EDO
33780.600.7648empty
4600.430.8216EDO
5680.360.7716EDO

Interfaces

3 interfaces between chains.

  • A–T · 1084 Ų buried · 20 hydrogen bonds · protein-nucleic
  • A–P · 725 Ų buried · 22 hydrogen bonds · protein-nucleic
  • T–P · 553 Ų buried · 54 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 5OMF · Closed, ternary structure of kod DNA polymerase · the same entry in another collection · chain A against A, TM-score 1.00
  • P77933 · AlphaFold monomer V2.0 prediction for DNA polymerase (P77933) · a predicted model of the same protein · chain A against A, TM-score 0.91

Analyse

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