MolNFT v1 · #81693 · protein
Crystal structure of aminoglycoside phosphotransferase APH(2'')-ib, apo form
3UZR: “Crystal structure of aminoglycoside phosphotransferase APH(2'')-ib, apo form”. X-ray diffraction, 1 ligand (MG), 3 pockets (best druggability 0.68). MolNFT v1 #81693 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3UZR
- Type
- protein
- Length
- 299 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminoglycoside phosphotransferase
- UniProt
- Q93ET9
- Ligands
- MG
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminoglycoside phosphotransferase | protein | 299 | 48% helix, 15% strand | Q93ET9 |
Ligands and binding sites
- MG · Magnesium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 4 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- PG4 · Tetraethylene glycol · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 393 | 0.68 | 0.80 | 39 | empty |
| 2 | 301 | 0.63 | 0.80 | 37 | EDO |
| 3 | 55 | 0.28 | 0.74 | 17 | empty |
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3UZR · Crystal structure of aminoglycoside phosphotransferase APH(2'')-Ib, apo form · 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 Q93ET9
- Elsewhere: RCSB PDB 3UZR · PDBe 3UZR · UniProt Q93ET9
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