MolNFT v1 · #190568 · protein
Crystal structure of cbp bromodomain liganded with Y08175
7XIJ · Isoform 2 of creb-binding protein: “Crystal structure of cbp bromodomain liganded with Y08175”. X-ray diffraction, 1 ligand (EJ3), 2 pockets (best druggability 0.50). MolNFT v1 #190568 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7XIJ
- Type
- protein
- Length
- 131 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isoform 2 of creb-binding protein
- EC
- 2.3.1.48, 2.3.1.-
- UniProt
- Q92793
- Ligands
- EJ3
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 63% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isoform 2 of creb-binding protein (EC 2.3.1.48, 2.3.1.-) | protein | 131 | 63% helix, 0% strand | Q92793 |
Ligands and binding sites
- EJ3 · 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid · ligand · chains A
- GOL · Glycerol · additive · 2 copies · chains A
- DMS · Dimethyl sulfoxide · additive · chains A
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 | 104 | 0.50 | 0.82 | 18 | empty |
| 2 | 84 | 0.47 | 0.81 | 19 | EJ3 |
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 7XIJ · PDBe 7XIJ · UniProt Q92793
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