MolNFT v1 · #140426 · protein
Crystal structure of mosquito arylalkylamine N-acetyltransferase like 5B/SPERMINE N-acetyltransferase
5YAG · AAEL004827-pa: “Crystal structure of mosquito arylalkylamine N-acetyltransferase like 5B/SPERMINE N-acetyltransferase”. X-ray diffraction, 5 pockets (best druggability 0.79). MolNFT v1 #140426 on GenesisL1: 3D structure, binding…
- PDB
- 5YAG
- Type
- protein
- Length
- 430 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AAEL004827-pa
- UniProt
- Q0IFG2
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AAEL004827-pa | protein | 217 | 45% helix, 26% strand | Q0IFG2 |
| B | AAEL004827-pa | protein | 213 | 39% helix, 25% strand | Q0IFG2 |
Ligands and binding sites
- GOL · Glycerol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 533 | 0.79 | 0.85 | 71 | GOL |
| 2 | 353 | 0.71 | 0.83 | 53 | empty |
| 3 | 254 | 0.56 | 0.78 | 32 | GOL |
| 4 | 76 | 0.46 | 0.82 | 23 | GOL |
| 5 | 76 | 0.38 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 614 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5YAG · Crystal structure of mosquito arylalkylamine N-Acetyltransferase like 5b/spermine… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q0IFG2
- Elsewhere: RCSB PDB 5YAG · PDBe 5YAG · UniProt Q0IFG2
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