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Pre-catalytic ternary complex of DNA polymerase lambda with bound 1-nt gapped ssb substrate and incoming dumpnpp

Analyse Pre-catalytic ternary complex of DNA polymerase lambda with bound 1-nt gapped… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7M07
Type
protein + DNA
Length
348 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
DUP, NA, MG, CL
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 4 distinct chains · 51% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase lambda (EC 2.7.7.7, 4.2.99.-)protein32751% helix, 13% 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*C)-3')dna6——
DDNA (5'-D(P*GP*CP*CP*G)-3')dna4——

Ligands and binding sites

  • DUP · 2'-deoxyuridine 5'-alpha,beta-imido-triphosphate · ligand · chains A, T, P
  • NA · Sodium ion · metal · 5 copies · chains A, P, D, T
  • MG · Magnesium ion · metal · 2 copies · chains A, P
  • CL · Chloride ion · ion · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, T

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19410.690.7456DUP, MG
23790.660.8031empty
31040.490.8220empty
4560.320.7718empty

Interfaces

5 interfaces between chains.

  • A–T · 837 Ų buried · 18 hydrogen bonds · protein-nucleic
  • A–P · 386 Ų buried · 16 hydrogen bonds · protein-nucleic
  • A–D · 378 Ų buried · 11 hydrogen bonds · protein-nucleic
  • T–P · 284 Ų buried · 22 hydrogen bonds · nucleic-nucleic
  • T–D · 192 Ų buried · 17 hydrogen bonds · nucleic-nucleic

Compared structures

  • 7M07 · Pre-catalytic ternary complex of DNA Polymerase Lambda with bound 1-nt gapped SSB… · 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 0.98

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