Research workbench
Crystal structure of paia N-acetyltransferase from thermoplasma acidophilum in complex with coenzyme a
Analyse Crystal structure of paia N-acetyltransferase from thermoplasma acidophilum in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3NE7
- Type
- protein
- Length
- 159 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetyltransferase
- UniProt
- Q9HL57
- Ligands
- COA, UNL, NI, SO4
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetyltransferase | protein | 159 | 42% helix, 33% strand | Q9HL57 |
Ligands and binding sites
- COA · Coenzyme A · ligand · chains A
- UNL · Unknown ligand · ligand · chains A
- NI · Nickel (II) ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
- BME · Beta-mercaptoethanol · additive · 2 copies · chains A
- GOL · Glycerol · additive · 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 | 389 | 0.71 | 0.82 | 39 | COA, BME, SO4 |
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 3NE7 · Crystal structure of paia n-acetyltransferase from thermoplasma acidophilum in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HL57 · AlphaFold monomer V2.0 prediction for spermidine N(1)-acetyltransferase (Q9HL57) · a predicted model of the same protein · chain A 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 Q9HL57
- Elsewhere: RCSB PDB 3NE7 · PDBe 3NE7 · UniProt Q9HL57
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