MolNFT v1 · #31616 · protein
Crystal structure of 3',5"-aminoglycoside phosphotransferase type iiia ADP neomycin B complex
2B0Q · Aminoglycoside 3'-phosphotransferase: “Crystal structure of 3',5"-aminoglycoside phosphotransferase type iiia ADP neomycin B complex”. X-ray diffraction, 3 ligands (NMY, ADP, MG), 2 pockets (best druggability 0.74). MolNFT v1 #31616…
- PDB
- 2B0Q
- Type
- protein
- Length
- 263 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminoglycoside 3'-phosphotransferase
- EC
- 2.7.1.95
- UniProt
- P0A3Y5
- Ligands
- NMY, ADP, MG
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminoglycoside 3'-phosphotransferase (EC 2.7.1.95) | protein | 263 | 38% helix, 19% strand | P0A3Y5 |
Ligands and binding sites
- NMY · Neomycin · ligand · chains A
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 569 | 0.74 | 0.81 | 57 | NMY, MG, ADP |
| 2 | 70 | 0.39 | 0.78 | 17 | empty |
Compared structures
- 2B0Q · Crystal Structure Of 3',5-Aminoglycoside Phosphotransferase Type IIIa ADP Neomycin B… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A3Y5 · AlphaFold monomer V2.0 prediction for aminoglycoside 3'-phosphotransferase (P0A3Y5) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P0A3Y5
- Elsewhere: RCSB PDB 2B0Q · PDBe 2B0Q · UniProt P0A3Y5
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