GL1X · GenesisL1 explorer

MolNFT v1 · #190560 · protein

Crystal structure of cbp bromodomain liganded with CCS150

7XI0 · Creb-binding protein: “Crystal structure of cbp bromodomain liganded with CCS150”. X-ray diffraction, 1 ligand (EL0), 1 pocket (best druggability 0.75). MolNFT v1 #190560 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7XI0
Type
protein
Length
226 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
EL0
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 2 distinct chains · 65% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACreb-binding protein (EC 2.3.1.48)protein11464% helix, 0% strandQ92793
BCreb-binding protein (EC 2.3.1.48)protein11266% helix, 0% strandQ92793

Ligands and binding sites

  • EL0 · (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one · ligand · 2 copies · chains A, B
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18820.750.7854EL0

Interfaces

1 interface between chains.

  • A–B · 195 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 7XI0 · Crystal structure of CBP bromodomain liganded with CCS150 · 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 B against A, TM-score 0.99

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