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MolNFT v1 · #111293 · protein + DNA

Structure of human DNA polymerase beta complexed with 7BG as the template base in a 1-nucleotide gapped DNA

4YMM: “Structure of human DNA polymerase beta complexed with 7BG as the template base in a 1-nucleotide gapped DNA”. X-ray diffraction, 1 ligand (NA), 2 pockets (best druggability 0.77). MolNFT v1 #111293 on GenesisL1: 3D structure…

PDB
4YMM
Type
protein + DNA
Length
358 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA polymerase beta; DNA 16-mer (template); DNA 10-mer (up-primer); DNA 5-mer (dn-primer)
EC
2.7.7.7, 4.2.99.-
UniProt
P06746
Ligands
NA
Pockets
2 · best druggability 0.77

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA polymerase beta (EC 2.7.7.7, 4.2.99.-)protein32751% helix, 13% strandP06746
TDNA 16-mer (template)dna16——
PDNA 10-mer (up-primer)dna10——
DDNA 5-mer (dn-primer)dna5——

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains A, P, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19710.770.7987empty
22540.630.8228empty

Interfaces

5 interfaces between chains.

  • A–T · 521 Ų buried · 9 hydrogen bonds · protein-nucleic
  • T–P · 491 Ų buried · 43 hydrogen bonds · nucleic-nucleic
  • A–D · 381 Ų buried · 11 hydrogen bonds · protein-nucleic
  • A–P · 317 Ų buried · 7 hydrogen bonds · protein-nucleic
  • T–D · 230 Ų buried · 23 hydrogen bonds · nucleic-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 4YMM · Structure of human DNA polymerase beta complexed with 7BG as the template base in a… · the same entry in another collection · chain A against A, TM-score 1.00
  • P06746 · AlphaFold monomer V2.0 prediction for DNA polymerase beta (P06746) · a predicted model of the same protein · chain A against A, TM-score 0.94

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