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

Analyse Binary complex of human polymerase nu and DNA with the finger domain closed in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4XVK
Type
protein + DNA
Length
657 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*GP*G)- 3'); DNA…
EC
2.7.7.7
UniProt
Q7Z5Q5
Ligands
NA
Pockets
9 · best druggability 0.74

Structure

x-ray diffraction · 3 distinct chains · 50% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase nu (EC 2.7.7.7)protein63050% helix, 14% strandQ7Z5Q5
PDNA (5'-D(*GP*AP*TP*CP*TP*GP*AP*CP*GP*CP*TP*AP*CP*GP*G)- 3')dna15——
TDNA (5'-D(*TP*CP*CP*GP*TP*AP*GP*CP*GP*TP*CP*A)-3')dna12——

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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110830.740.7766empty
21590.650.8727empty
31200.580.8420empty
43050.580.7737empty
5520.540.8916empty

Interfaces

3 interfaces between chains.

  • A–T · 1161 Ų buried · 19 hydrogen bonds · protein-nucleic
  • A–P · 852 Ų buried · 21 hydrogen bonds · protein-nucleic
  • P–T · 515 Ų buried · 51 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4XVK · Binary complex of human polymerase nu and DNA with the finger domain closed · 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 0.98

Analyse

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