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The structural basis for recognition of J-base containing DNA by a novel DNA-binding domain in JBP1

Analyse The structural basis for recognition of J-base containing DNA by a novel… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2XSE
Type
protein
Length
160 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thymine dioxygenase JBP1
EC
1.14.11.6
UniProt
Q9U6M1
Ligands
NO3
Pockets
2 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThymine dioxygenase JBP1 (EC 1.14.11.6)protein16072% helix, 0% strandQ9U6M1

Ligands and binding sites

  • NO3 · Nitrate ion · ion · chains A
  • GOL · Glycerol · additive · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1680.350.7617empty
2730.350.7613empty

Modifications

Observed in the structure: 11 modified (engineered).

Compared structures

  • 2XSE · The structural basis for recognition of J-base containing DNA by a novel DNA-binding… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9U6M1 · AlphaFold monomer V2.0 prediction for thymine dioxygenase JBP1 (Q9U6M1) · a predicted model of the same protein · chain A against A, TM-score 0.99

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