MolNFT v1 · #133712 · protein
Xchem group deposition -- crystal structure of the second bromodomain of pleckstrin homology domain interacting protein (phip) in complex with N01460C (space group P212121)
5S8O · PH-interacting protein: “Xchem group deposition -- crystal structure of the second bromodomain of pleckstrin homology domain…”. X-ray diffraction, 2 ligands (XM4, CA), 3 pockets (best druggability 0.71). MolNFT v1 #133712 on…
- PDB
- 5S8O
- Type
- protein
- Length
- 239 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- PH-interacting protein
- UniProt
- Q8WWQ0
- Ligands
- XM4, CA
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 69% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | PH-interacting protein | protein | 119 | 69% helix, 0% strand | Q8WWQ0 |
| B | PH-interacting protein | protein | 120 | 69% helix, 0% strand | Q8WWQ0 |
Ligands and binding sites
- XM4 · N-(4-chloro-2-methylphenyl)acetamide · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains B
- EDO · 1,2-ethanediol · additive · 6 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 586 | 0.71 | 0.79 | 53 | empty |
| 2 | 135 | 0.47 | 0.78 | 17 | empty |
| 3 | 91 | 0.46 | 0.80 | 18 | XM4 |
Interfaces
1 interface between chains.
- A–B · 435 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5S8O · XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q8WWQ0
- Elsewhere: RCSB PDB 5S8O · PDBe 5S8O · UniProt Q8WWQ0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.