MolNFT v1 · #125994 · protein
Crystal structure of the bromodomain of human crebbp bound to the inhibitor XDM3C
5LPL · Creb-binding protein: “Crystal structure of the bromodomain of human crebbp bound to the inhibitor XDM3C”. X-ray diffraction, 1 ligand (71X), 1 pocket (best druggability 0.49). MolNFT v1 #125994 on GenesisL1: 3D structure, binding…
- PDB
- 5LPL
- Type
- protein
- Length
- 119 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
- 71X
- Pockets
- 1 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 66% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Creb-binding protein (EC 2.3.1.48) | protein | 119 | 66% helix, 0% strand | Q92793 |
Ligands and binding sites
- 71X · ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 84 | 0.49 | 0.82 | 18 | 71X |
Compared structures
- 5LPL · Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c · 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
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 5LPL · PDBe 5LPL · UniProt Q92793
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