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MolNFT v1 · #110404 · protein + DNA

Binary complex of human polymerase nu and DNA with the finger domain open

4XVL · DNA polymerase nu: “Binary complex of human polymerase nu and DNA with the finger domain open”. X-ray diffraction, 1 ligand (NA), 6 pockets (best druggability 0.74). MolNFT v1 #110404 on GenesisL1: 3D structure, binding sites and…

PDB
4XVL
Type
protein + DNA
Length
660 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase nu; DNA (5'-D(*GP*AP*TP*CP*TP*GP*AP*CP*GP*CP*TP*AP*CP*G)-3'); DNA…
EC
2.7.7.7
UniProt
Q7Z5Q5
Ligands
NA
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 52% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase nu (EC 2.7.7.7)protein63652% helix, 14% strandQ7Z5Q5
PDNA (5'-D(*GP*AP*TP*CP*TP*GP*AP*CP*GP*CP*TP*AP*CP*G)-3')dna14——
TDNA (5'-D(*TP*CP*GP*TP*AP*GP*CP*GP*TP*CP*A)-3')dna10——

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • MES · 2-(N-morpholino)-ethanesulfonic acid · additive · chains A

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19820.740.7769empty
21810.660.8629empty
32900.590.7844empty
42130.530.7725empty
5560.530.8816empty

Interfaces

3 interfaces between chains.

  • A–T · 888 Ų buried · 15 hydrogen bonds · protein-nucleic
  • A–P · 725 Ų buried · 10 hydrogen bonds · protein-nucleic
  • P–T · 485 Ų buried · 41 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4XVL · Binary complex of human polymerase nu and DNA with the finger domain open · the same entry in another collection · chain A against A, TM-score 1.00
  • Q7Z5Q5 · AlphaFold monomer V2.0 prediction for DNA polymerase nu (Q7Z5Q5) · a predicted model of the same protein · chain A against A, TM-score 0.99

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