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Post-catalytic complex of human polymerase mu (G433A) mutant with incoming dttp

Analyse Post-catalytic complex of human polymerase mu (G433A) mutant with incoming dttp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5VZ9
Type
protein + DNA
Length
344 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*AP*TP*AP*CP*G)-3'); DNA…
EC
2.7.7.7
UniProt
Q9NP87
Ligands
TTP, MG, NA, CL
Pockets
2 · best druggability 0.72

Structure

x-ray diffraction · 4 distinct chains · 52% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA-directed DNA/RNA polymerase mu (EC 2.7.7.7)protein32652% helix, 15% strandQ9NP87
TDNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3')dna9——
PDNA (5'-D(*CP*GP*TP*AP*T)-3')dna5——
DDNA (5'-D(P*GP*CP*CP*G)-3')dna4——

Ligands and binding sites

  • TTP · Thymidine-5'-triphosphate · ligand · chains A, P
  • MG · Magnesium ion · metal · 2 copies · chains A, P
  • NA · Sodium ion · metal · 2 copies · chains A, P
  • CL · Chloride ion · ion · chains A, T
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A, T, P

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111680.720.7652TTP, MG
2790.420.8012empty

Interfaces

5 interfaces between chains.

  • A–T · 696 Ų buried · 18 hydrogen bonds · protein-nucleic
  • A–P · 562 Ų buried · 16 hydrogen bonds · protein-nucleic
  • A–D · 406 Ų buried · 18 hydrogen bonds · protein-nucleic
  • T–P · 250 Ų buried · 15 hydrogen bonds · nucleic-nucleic
  • T–D · 198 Ų buried · 17 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5VZ9 · Post-catalytic complex of human Polymerase Mu (G433A) mutant with incoming dTTP · 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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