MolNFT v1 · #137087 · protein
Crystal structure of a gnat superfamily acetyltransferase PA4794 in complex with bisubstrate analog 3
5VDB: “Crystal structure of a gnat superfamily acetyltransferase PA4794 in complex with bisubstrate analog 3”. X-ray diffraction, 2 ligands (93M, SO4), 1 pocket (best druggability 0.66). MolNFT v1 #137087 on GenesisL1: 3D structure…
- PDB
- 5VDB
- Type
- protein
- Length
- 159 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyltransferase PA4794
- UniProt
- Q9HV14
- Ligands
- 93M, SO4
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyltransferase PA4794 | protein | 159 | 34% helix, 37% strand | Q9HV14 |
Ligands and binding sites
- 93M · (3R,5S,9R,26S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3, 5,9-trihydroxy-8,8-dimethyl-10,14,20-trioxo-26-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name) · ligand · chains A
- SO4 · Sulfate ion · ion · 6 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 276 | 0.66 | 0.82 | 34 | 93M |
Compared structures
- 5VDB · Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with… · 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 Q9HV14
- Elsewhere: RCSB PDB 5VDB · PDBe 5VDB · UniProt Q9HV14
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.