MolNFT v1 · #180361 · protein
Speg spermidine N-acetyltransferase F149G mutant from vibrio cholerae
7KX3 · Spermidine N(1)-acetyltransferase: “Speg spermidine N-acetyltransferase F149G mutant from vibrio cholerae”. X-ray diffraction, 6 pockets (best druggability 0.83). MolNFT v1 #180361 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7KX3
- Type
- protein
- Length
- 509 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Spermidine N(1)-acetyltransferase
- EC
- 2.3.1.57
- UniProt
- Q9KL03
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spermidine N(1)-acetyltransferase (EC 2.3.1.57) | protein | 168 | 33% helix, 36% strand | Q9KL03 |
| B | Spermidine N(1)-acetyltransferase (EC 2.3.1.57) | protein | 172 | 30% helix, 37% strand | Q9KL03 |
| C | Spermidine N(1)-acetyltransferase (EC 2.3.1.57) | protein | 169 | 31% helix, 37% strand | Q9KL03 |
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1058 | 0.83 | 0.84 | 82 | empty |
| 2 | 72 | 0.73 | 0.97 | 17 | empty |
| 3 | 591 | 0.67 | 0.77 | 52 | empty |
| 4 | 212 | 0.56 | 0.79 | 23 | empty |
| 5 | 56 | 0.52 | 0.87 | 12 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1089 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 727 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 282 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7KX3 · SpeG Spermidine N-acetyltransferase F149G mutant from Vibrio cholerae · the same entry in another collection · chain A against A, TM-score 1.00
- Q9KL03 · AlphaFold monomer V2.0 prediction for spermidine N(1)-acetyltransferase (Q9KL03) · a predicted model of the same protein · chain C against A, TM-score 0.93
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 Q9KL03
- Elsewhere: RCSB PDB 7KX3 · PDBe 7KX3 · UniProt Q9KL03
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