MolNFT v1 · #107428 · protein
Crystal structure of selenomethionine labeled spnatd
4UA3 · Uncharacterized N-acetyltransferase C825.04C: “Crystal structure of selenomethionine labeled spnatd”. X-ray diffraction, 3 ligands (COA, ACE, CL), 2 pockets (best druggability 0.80). MolNFT v1 #107428 on GenesisL1: 3D structure…
- PDB
- 4UA3
- Type
- protein
- Length
- 379 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized N-acetyltransferase C825.04C
- EC
- 2.3.1.-
- UniProt
- Q9USH6
- Ligands
- COA, ACE, CL
- Pockets
- 2 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized N-acetyltransferase C825.04C (EC 2.3.1.-) | protein | 186 | 33% helix, 30% strand | Q9USH6 |
| B | Uncharacterized N-acetyltransferase C825.04C (EC 2.3.1.-) | protein | 193 | 34% helix, 29% strand | Q9USH6 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 2 copies · chains A, B
- ACE · Acetyl group · ligand · chains B
- CL · Chloride ion · ion · 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 | 1034 | 0.80 | 0.81 | 92 | COA, CL |
| 2 | 184 | 0.48 | 0.76 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 978 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified, 1 covalent (engineered, covalent ligand).
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 Q9USH6
- Elsewhere: RCSB PDB 4UA3 · PDBe 4UA3 · UniProt Q9USH6
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