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MolNFT v1 · #9091 · protein

CTBP/BARS: a dual-function protein involved in transcription corepression and golgi membrane fission

1HKU · C-terminal binding protein 3: “CTBP/BARS: a dual-function protein involved in transcription corepression and golgi membrane fission”. X-ray diffraction, 1 ligand (NAD), 2 pockets (best druggability 0.71). MolNFT v1 #9091 on…

PDB
1HKU
Type
protein
Length
331 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
C-terminal binding protein 3
UniProt
Q9Z2F5
Ligands
NAD
Pockets
2 · best druggability 0.71

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AC-terminal binding protein 3protein33136% helix, 17% strandQ9Z2F5

Ligands and binding sites

  • NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
  • FMT · Formic acid · additive · 2 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14940.710.8162NAD, FMT
2970.400.7716empty

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

  • 1HKU · CtBP/BARS: a dual-function protein involved in transcription corepression and Golgi… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9Z2F5 · AlphaFold monomer V2.0 prediction for C-terminal-binding protein 1 (Q9Z2F5) · a predicted model of the same protein · chain A against A, TM-score 1.00

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