MolNFT v1 · #37315 · protein
Human SPERMIDINE/SPERMINE N1-acetyltransferase
2FXF · Diamine acetyltransferase 1: “Human SPERMIDINE/SPERMINE N1-acetyltransferase”. X-ray diffraction, 2 ligands (ACO, CA), 3 pockets (best druggability 0.79). MolNFT v1 #37315 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2FXF
- Type
- protein
- Length
- 328 residues
- Chains
- 2
- 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, CA
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Diamine acetyltransferase 1 (EC 2.3.1.57) | protein | 164 | 40% helix, 29% strand | P21673 |
| B | Diamine acetyltransferase 1 (EC 2.3.1.57) | protein | 164 | 39% helix, 29% strand | P21673 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 5 copies · chains A, B
- ACT · Acetate ion · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1038 | 0.79 | 0.80 | 86 | CA, ACT, ACO |
| 2 | 70 | 0.57 | 0.88 | 15 | empty |
| 3 | 77 | 0.32 | 0.74 | 22 | CA |
Interfaces
1 interface between chains.
- A–B · 3556 Ų buried · 40 hydrogen bonds · protein-protein
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 P21673
- Elsewhere: RCSB PDB 2FXF · PDBe 2FXF · UniProt P21673
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