MolNFT v1 · #180341 · protein
Spermidine N-acetyltransferase speg K23-Q34 chimera from vibrio cholerae and hssat
7KWJ · Spermidine N(1)-acetyltransferase: “Spermidine N-acetyltransferase speg K23-Q34 chimera from vibrio cholerae and hssat”. X-ray diffraction, 7 pockets (best druggability 0.71). MolNFT v1 #180341 on GenesisL1: 3D structure, binding…
- PDB
- 7KWJ
- Type
- protein
- Length
- 489 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
- 7 · best druggability 0.71
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Spermidine N(1)-acetyltransferase (EC 2.3.1.57) | protein | 163 | 34% helix, 33% strand | Q9KL03 |
| B | Spermidine N(1)-acetyltransferase (EC 2.3.1.57) | protein | 166 | 30% helix, 34% strand | Q9KL03 |
| C | Spermidine N(1)-acetyltransferase (EC 2.3.1.57) | protein | 160 | 35% helix, 34% strand | Q9KL03 |
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 470 | 0.71 | 0.81 | 48 | empty |
| 2 | 118 | 0.64 | 0.88 | 23 | empty |
| 3 | 576 | 0.62 | 0.74 | 40 | empty |
| 4 | 180 | 0.59 | 0.82 | 28 | empty |
| 5 | 179 | 0.55 | 0.80 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–B · 997 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 758 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 333 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7KWJ · Spermidine N-acetyltransferase SpeG K23-Q34 chimera from Vibrio cholerae and hSSAT · 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 0.97
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 7KWJ · PDBe 7KWJ · UniProt Q9KL03
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