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MolNFT v1 · #175364 · protein + DNA

Post insertion complex of DNA polymerase mu (K438A/Q441A) with 1-nt gapped DNA

7COD · DNA-directed DNA/RNA polymerase mu: “Post insertion complex of DNA polymerase mu (K438A/Q441A) with 1-nt gapped DNA”. X-ray diffraction, 3 ligands (DGT, MG, NA), 3 pockets (best druggability 0.78). MolNFT v1 #175364 on GenesisL1: 3D…

PDB
7COD
Type
protein + DNA
Length
346 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA-directed DNA/RNA polymerase mu; DNA (5'-D(*CP*GP*GP*CP*TP*TP*AP*CP*G)-3'); DNA…
EC
2.7.7.7
UniProt
Q9NP87
Ligands
DGT, MG, NA
Pockets
3 · best druggability 0.78

Structure

x-ray diffraction · 4 distinct chains · 51% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed DNA/RNA polymerase mu (EC 2.7.7.7)protein32851% helix, 15% strandQ9NP87
TDNA (5'-D(*CP*GP*GP*CP*TP*TP*AP*CP*G)-3')dna9——
PDNA (5'-D(*CP*GP*TP*AP*G)-3')dna5——
DDNA (5'-D(P*GP*CP*CP*G)-3')dna4——

Ligands and binding sites

  • DGT · 2'-deoxyguanosine-5'-triphosphate · ligand · chains A, T, P
  • MG · Magnesium ion · metal · 3 copies · chains A, P
  • NA · Sodium ion · metal · chains A, P
  • GOL · Glycerol · additive · chains A, T, P

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110880.780.8073GOL, DGT, MG
2610.450.8317empty
3810.400.7912empty

Interfaces

5 interfaces between chains.

  • A–T · 638 Ų buried · 13 hydrogen bonds · protein-nucleic
  • A–P · 493 Ų buried · 14 hydrogen bonds · protein-nucleic
  • A–D · 347 Ų buried · 16 hydrogen bonds · protein-nucleic
  • T–P · 217 Ų buried · 16 hydrogen bonds · nucleic-nucleic
  • T–D · 196 Ų buried · 16 hydrogen bonds · nucleic-nucleic

Compared structures

  • 7COD · Post insertion complex of DNA polymerase Mu (K438A/Q441A) with 1-nt gapped DNA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9NP87 · AlphaFold monomer V2.0 prediction for DNA-directed DNA/RNA polymerase mu (Q9NP87) · a predicted model of the same protein · chain A against A, TM-score 0.99

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