MolNFT v1 · #180360 · protein
Spermidine N-acetyltransferase speg F149A mutant from vibrio cholerae
7KX2 · Spermidine N(1)-acetyltransferase: “Spermidine N-acetyltransferase speg F149A mutant from vibrio cholerae”. X-ray diffraction, 5 pockets (best druggability 0.83). MolNFT v1 #180360 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7KX2
- Type
- protein
- Length
- 504 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
- 5 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 32% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spermidine N(1)-acetyltransferase (EC 2.3.1.57) | protein | 169 | 33% helix, 36% strand | Q9KL03 |
| B | Spermidine N(1)-acetyltransferase (EC 2.3.1.57) | protein | 169 | 31% helix, 37% strand | Q9KL03 |
| C | Spermidine N(1)-acetyltransferase (EC 2.3.1.57) | protein | 166 | 31% helix, 38% strand | Q9KL03 |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1185 | 0.83 | 0.84 | 96 | empty |
| 2 | 602 | 0.68 | 0.77 | 50 | empty |
| 3 | 156 | 0.62 | 0.85 | 27 | empty |
| 4 | 85 | 0.44 | 0.80 | 12 | empty |
| 5 | 79 | 0.42 | 0.79 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1083 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 777 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 282 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7KX2 · Spermidine N-acetyltransferase SpeG F149A 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 7KX2 · PDBe 7KX2 · UniProt Q9KL03
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