MolNFT v1 · #127204 · protein
Crystal structure of crebbp bromodomain complexed with DK19
5MPK · Creb-binding protein: “Crystal structure of crebbp bromodomain complexed with DK19”. X-ray diffraction, 1 ligand (0BC), 2 pockets (best druggability 0.69). MolNFT v1 #127204 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5MPK
- Type
- protein
- Length
- 224 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
- 0BC
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Creb-binding protein (EC 2.3.1.48) | protein | 112 | 65% helix, 0% strand | Q92793 |
Ligands and binding sites
- 0BC · ~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 500 | 0.69 | 0.79 | 51 | 0BC |
| 2 | 76 | 0.48 | 0.82 | 20 | 0BC |
Interfaces
1 interface between chains.
- A–B · 513 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
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 5MPK · PDBe 5MPK · UniProt Q92793
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