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MolNFT v1 · #42062 · protein

Solution NMR structure of dsbb-ubiquinone complex

2K74 · Disulfide bond formation protein B: “Solution NMR structure of dsbb-ubiquinone complex”. Solution nmr, 1 ligand (UQ2), 2 pockets (best druggability 0.79). MolNFT v1 #42062 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
2K74
Type
protein
Length
183 residues
Chains
1
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Disulfide bond formation protein B
UniProt
P0A6M2
Ligands
UQ2
Pockets
2 · best druggability 0.79

Structure

solution nmr · 1 distinct chain · 60% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADisulfide bond formation protein Bprotein18360% helix, 2% strandP0A6M2

Ligands and binding sites

  • UQ2 · Ubiquinone-2 · ligand · 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, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19070.790.8176UQ2
21240.660.8828empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 2K74 · Solution NMR structure of DsbB-ubiqui complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A6M2 · AlphaFold monomer V2.0 prediction for disulfide bond formation protein B (P0A6M2) · a predicted model of the same protein · chain A against A, TM-score 0.80

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