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MolNFT v1 · #129846 · protein

Crystal structure of crebbp bromodomain complexed with DSPB2A002

5OWK · Creb-binding protein: “Crystal structure of crebbp bromodomain complexed with DSPB2A002”. X-ray diffraction, 1 ligand (7MX), 1 pocket (best druggability 0.43). MolNFT v1 #129846 on GenesisL1: 3D structure, binding sites and pockets…

PDB
5OWK
Type
protein
Length
114 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Creb-binding protein
EC
2.3.1.48
UniProt
Q92793
Ligands
7MX
Pockets
1 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 63% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACreb-binding protein (EC 2.3.1.48)protein11463% helix, 0% strandQ92793

Ligands and binding sites

  • 7MX · ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate · ligand · 2 copies · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1620.430.81167MX

Compared structures

  • 5OWK · Crystal structure of CREBBP bromodomain complexed with DSPB2A002 · 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 0.95

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