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DNA polymerase lambda, TTP:AT MN2+ product state ternary complex, 60 min

Analyse DNA polymerase lambda, TTP:AT MN2+ product state ternary complex, 60 min in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7M4B
Type
protein + DNA
Length
342 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase lambda; DNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3'); DNA…
EC
2.7.7.7, 4.2.99.-
UniProt
Q9UGP5
Ligands
PPV, MN, NA
Pockets
4 · best druggability 0.67

Structure

x-ray diffraction · 4 distinct chains · 49% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase lambda (EC 2.7.7.7, 4.2.99.-)protein32049% helix, 15% strandQ9UGP5
TDNA (5'-D(*CP*GP*GP*CP*AP*GP*TP*AP*CP*TP*G)-3')dna11——
PDNA (5'-D(*CP*AP*GP*TP*AP*CP*T)-3')dna7——
DDNA (5'-D(P*GP*CP*CP*G)-3')dna4——

Ligands and binding sites

  • PPV · Pyrophosphate · ligand · chains A, P
  • MN · Manganese (II) ion · metal · 4 copies · chains A, P
  • NA · Sodium ion · metal · 3 copies · chains A, P, D
  • EDO · 1,2-ethanediol · additive · 5 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18840.670.7456MN, PPV, EDO
21690.540.8025empty
3500.530.8915empty
42770.500.7423empty

Interfaces

5 interfaces between chains.

  • A–T · 812 Ų buried · 18 hydrogen bonds · protein-nucleic
  • A–P · 539 Ų buried · 21 hydrogen bonds · protein-nucleic
  • A–D · 380 Ų buried · 11 hydrogen bonds · protein-nucleic
  • T–P · 315 Ų buried · 24 hydrogen bonds · nucleic-nucleic
  • T–D · 191 Ų buried · 15 hydrogen bonds · nucleic-nucleic

Compared structures

  • 7M4B · DNA Polymerase Lambda, TTP:At Mn2+ Product State Ternary Complex, 60 min · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UGP5 · AlphaFold monomer V2.0 prediction for DNA polymerase lambda (Q9UGP5) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

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