Research workbench
Crystal structure of gnat superfamily protein PA2578 from pseudomonas aeruginosa
Analyse Crystal structure of gnat superfamily protein PA2578 from pseudomonas aeruginosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3OWC
- Type
- protein
- Length
- 342 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable acetyltransferase
- UniProt
- Q9I0Q8
- Ligands
- COA
- Pockets
- 1 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable acetyltransferase | protein | 172 | 35% helix, 37% strand | Q9I0Q8 |
| B | Probable acetyltransferase | protein | 170 | 32% helix, 36% strand | Q9I0Q8 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
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 | 1158 | 0.79 | 0.81 | 102 | COA, EDO |
Interfaces
1 interface between chains.
- A–B · 1197 Ų buried · 37 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3OWC · Crystal structure of GNAT superfamily protein PA2578 from Pseudomonas aeruginosa · the same entry in another collection · chain A against A, TM-score 1.00
- Q9I0Q8 · AlphaFold monomer V2.0 prediction for acetyltransferase PA2578 (Q9I0Q8) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q9I0Q8
- Elsewhere: RCSB PDB 3OWC · PDBe 3OWC · UniProt Q9I0Q8
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