MolNFT v1 · #31713 · protein
Spermine spermidine acetyltransferase in complex with acetylcoa, K26R mutant
2B3V · Diamine acetyltransferase 1: “Spermine spermidine acetyltransferase in complex with acetylcoa, K26R mutant”. X-ray diffraction, 1 ligand (ACO), 3 pockets (best druggability 0.61). MolNFT v1 #31713 on GenesisL1: 3D structure, binding…
- PDB
- 2B3V
- Type
- protein
- Length
- 167 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Diamine acetyltransferase 1
- EC
- 2.3.1.57
- UniProt
- P21673
- Ligands
- ACO
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Diamine acetyltransferase 1 (EC 2.3.1.57) | protein | 167 | 41% helix, 22% strand | P21673 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 285 | 0.61 | 0.79 | 28 | ACO |
| 2 | 142 | 0.44 | 0.75 | 23 | empty |
| 3 | 76 | 0.31 | 0.73 | 13 | empty |
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 2B3V · Spermine spermidine acetyltransferase in complex with acetylcoa, K26R mutant · the same entry in another collection · chain A against A, TM-score 1.00
- P21673 · AlphaFold monomer V2.0 prediction for diamine acetyltransferase 1 (P21673) · a predicted model of the same protein · chain A against A, TM-score 0.92
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 P21673
- Elsewhere: RCSB PDB 2B3V · PDBe 2B3V · UniProt P21673
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