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MolNFT v1 · #127093 · protein

Crystal structure of crebbp bromodomain complexd with US46C

5MME · Creb-binding protein: “Crystal structure of crebbp bromodomain complexd with US46C”. X-ray diffraction, 1 ligand (8Q6), 3 pockets (best druggability 0.53). MolNFT v1 #127093 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5MME
Type
protein
Length
238 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Creb-binding protein
EC
2.3.1.48
UniProt
Q92793
Ligands
8Q6
Pockets
3 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 66% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCreb-binding protein (EC 2.3.1.48)protein11966% helix, 0% strandQ92793

Ligands and binding sites

  • 8Q6 · dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate · ligand · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1770.530.85198Q6
21950.520.7724empty
31030.480.80208Q6

Interfaces

1 interface between chains.

  • A–B · 209 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 5MME · Crystal structure of CREBBP bromodomain complexd with US46C · the same entry in another collection · chain A against A, TM-score 1.00
  • Q92793 · AlphaFold monomer V2.0 prediction for creb-binding protein (Q92793) · a predicted model of the same protein · chain A against A, TM-score 0.97

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