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

Analyse DNA polymerase lambda, TTPAS: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
7M4L
Type
protein + DNA
Length
341 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
YQS, PPV, MN, NA
Pockets
3 · best druggability 0.67

Structure

x-ray diffraction · 4 distinct chains · 50% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase lambda (EC 2.7.7.7, 4.2.99.-)protein32050% 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*(YQS))-3')dna6——
DDNA (5'-D(P*GP*CP*CP*G)-3')dna4——

Ligands and binding sites

  • YQS · [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate · ligand · chains A, T, P
  • PPV · Pyrophosphate · ligand · chains A, P
  • MN · Manganese (II) ion · metal · 3 copies · chains A, P
  • NA · Sodium ion · metal · 2 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17710.670.7557YQS, MN, PPV
21700.560.8126empty
32620.490.7426empty

Interfaces

5 interfaces between chains.

  • A–T · 837 Ų buried · 18 hydrogen bonds · protein-nucleic
  • A–D · 380 Ų buried · 13 hydrogen bonds · protein-nucleic
  • A–P · 369 Ų buried · 14 hydrogen bonds · protein-nucleic
  • T–P · 283 Ų buried · 22 hydrogen bonds · nucleic-nucleic
  • T–D · 190 Ų buried · 15 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 7M4L · DNA Polymerase Lambda, TTPaS: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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