MolNFT v1 · #103346 · protein
Crystal structure of aminoglycoside phosphotransferase from alicyclobacillus acidocaldarius subsp. acidocaldarius dsm 446
4PDY: “Crystal structure of aminoglycoside phosphotransferase from alicyclobacillus acidocaldarius subsp.…”. X-ray diffraction, 2 ligands (HIS, SCN), 3 pockets (best druggability 0.61). MolNFT v1 #103346 on GenesisL1: 3D structure, binding…
- PDB
- 4PDY
- Type
- protein
- Length
- 332 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminoglycoside phosphotransferase
- UniProt
- C8WS74
- Ligands
- HIS, SCN
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminoglycoside phosphotransferase | protein | 332 | 55% helix, 14% strand | C8WS74 |
Ligands and binding sites
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 | 143 | 0.61 | 0.85 | 29 | HIS |
| 2 | 294 | 0.60 | 0.78 | 53 | SCN |
| 3 | 51 | 0.26 | 0.73 | 13 | SCN |
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 4PDY · Crystal structure of aminoglycoside phosphotransferase from Alicyclobacillus… · 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 C8WS74
- Elsewhere: RCSB PDB 4PDY · PDBe 4PDY · UniProt C8WS74
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