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Crystal structure of the bromodomain of human crebbp in complex with UO37D

Analyse Crystal structure of the bromodomain of human crebbp in complex with UO37D in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5H85
Type
protein
Length
118 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
5XS
Pockets
1 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACreb-binding protein (EC 2.3.1.48)protein11865% helix, 0% strandQ92793

Ligands and binding sites

  • 5XS · methyl 3-(7~{H}-purin-6-ylcarbamoyl)benzoate · ligand · 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
1790.480.82195XS

Compared structures

  • 5H85 · Crystal structure of the bromodomain of human CREBBP in complex with UO37D · 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 0.96

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