Research workbench
Bromodomain of human crebbp with N-(4-HYDROXYPHENYL)ACETAMIDE
Analyse Bromodomain of human crebbp with N-(4-HYDROXYPHENYL)ACETAMIDE in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4A9K
- Type
- protein
- Length
- 227 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
- TYL, K, SCN
- Pockets
- 4 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Creb-binding protein (EC 2.3.1.48) | protein | 115 | 68% helix, 0% strand | Q92793 |
| B | Creb-binding protein (EC 2.3.1.48) | protein | 112 | 70% helix, 0% strand | Q92793 |
Ligands and binding sites
- TYL · N-(4-hydroxyphenyl)acetamide (tylenol) · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · chains B
- SCN · Thiocyanate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.50 | 0.82 | 20 | TYL |
| 2 | 73 | 0.44 | 0.80 | 17 | TYL |
| 3 | 122 | 0.39 | 0.75 | 23 | empty |
| 4 | 54 | 0.35 | 0.78 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 485 Ų buried · 5 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 4A9K · PDBe 4A9K · UniProt Q92793
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