MolNFT v1 · #121875 · protein
Crystal structure of the bromodomain of human crebbp bound to the benzodiazepinone G02857790
5I89 · Creb-binding protein: “Crystal structure of the bromodomain of human crebbp bound to the benzodiazepinone G02857790”. X-ray diffraction, 2 ligands (69B, CA), 1 pocket (best druggability 0.50). MolNFT v1 #121875 on GenesisL1: 3D…
- PDB
- 5I89
- Type
- protein
- Length
- 115 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Creb-binding protein
- UniProt
- Q92793
- Ligands
- 69B, CA
- Pockets
- 1 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Creb-binding protein | protein | 115 | 69% helix, 0% strand | Q92793 |
Ligands and binding sites
- 69B · (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one · ligand · chains A
- CA · Calcium ion · metal · chains A
- ACT · Acetate ion · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 106 | 0.50 | 0.81 | 18 | 69B |
Compared structures
- 5I89 · Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepi G02857790 · 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 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q92793
- Elsewhere: RCSB PDB 5I89 · PDBe 5I89 · UniProt Q92793
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