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MolNFT v1 · #54020 · protein + DNA

Binary complex of sulfolobus solfataricus DPO4 DNA polymerase and 1,N2-ethenoguanine modified DNA, magnesium form

2XC9 · DNA polymerase IV: “Binary complex of sulfolobus solfataricus DPO4 DNA polymerase and 1,N2-ethenoguanine modified DNA, magnesium…”. X-ray diffraction, 2 pockets (best druggability 0.80). MolNFT v1 #54020 on GenesisL1: 3D structure…

PDB
2XC9
Type
protein + DNA
Length
371 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase IV; 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*G)-3'…
EC
2.7.7.7
UniProt
Q97W02
Pockets
2 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 46% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase IV (EC 2.7.7.7)protein34146% helix, 25% strandQ97W02
P5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*G)-3'dna14——
T5'-D(*TP*CP*AP*CP*GNEP*GP*AP*AP*TP*CP*CP*TP*TP* CP*CP*CP*CP*C)-3'dna16——

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19830.800.8278empty
23440.700.8338empty

Interfaces

3 interfaces between chains.

  • A–T · 886 Ų buried · 18 hydrogen bonds · protein-nucleic
  • A–P · 683 Ų buried · 14 hydrogen bonds · protein-nucleic
  • P–T · 673 Ų buried · 49 hydrogen bonds · nucleic-nucleic

Modifications

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

Compared structures

  • 2XC9 · Binary complex of sulfolobus solfataricus DPO4 DNA polymerase and 1, N2-ethenoguanine… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q97W02 · AlphaFold monomer V2.0 prediction for DNA polymerase IV (Q97W02) · a predicted model of the same protein · chain A against A, TM-score 0.98

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