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MolNFT v1 · #116449 · protein

Binary complex of human polymerase lambda with dctp

5DDY · DNA polymerase lambda: “Binary complex of human polymerase lambda with dctp”. X-ray diffraction, 3 ligands (DCP, MN, MG), 9 pockets (best druggability 0.82). MolNFT v1 #116449 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5DDY
Type
protein
Length
1,142 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase lambda
EC
2.7.7.7
UniProt
Q9UGP5
Ligands
DCP, MN, MG
Pockets
9 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CDNA polymerase lambda (EC 2.7.7.7)protein32744% helix, 17% strandQ9UGP5
E, GDNA polymerase lambda (EC 2.7.7.7)protein24440% helix, 17% strandQ9UGP5

Ligands and binding sites

  • DCP · 2'-deoxycytidine-5'-triphosphate · ligand · 4 copies · chains A, C, E, G
  • MN · Manganese (II) ion · metal · 8 copies · chains A, C, E, G
  • MG · Magnesium ion · metal · 4 copies · chains A, C, E, G

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

Pockets

9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17860.820.8568empty
23850.670.8041empty
33940.610.7741MN, DCP
4850.600.8821empty
51080.510.8328MN

Interfaces

3 interfaces between chains.

  • A–C · 837 Ų buried · 6 hydrogen bonds · protein-protein
  • E–G · 555 Ų buried · 2 hydrogen bonds · protein-protein
  • A–G · 185 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5DDY · Binary complex of human Polymerase lambda with dCTP · the same entry in another collection · chain G against G, TM-score 1.00
  • Q9UGP5 · AlphaFold monomer V2.0 prediction for DNA polymerase lambda (Q9UGP5) · a predicted model of the same protein · chain E against A, TM-score 0.92

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