MolNFT v1 · #82884 · protein
Crystal structure of a thermostable mutant of aminoglycoside phosphotransferase APH(4)-ia (D198A), ternary complex with ADP and hygromycin B
3W0P · Hygromycin-B 4-O-kinase: “Crystal structure of a thermostable mutant of aminoglycoside phosphotransferase APH(4)-ia (D198A), ternary…”. X-ray diffraction, 2 ligands (ADP, HY0), 2 pockets (best druggability 0.67). MolNFT v1 #82884 on…
- PDB
- 3W0P
- Type
- protein
- Length
- 295 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hygromycin-B 4-O-kinase
- EC
- 2.7.1.163
- UniProt
- P00557
- Ligands
- ADP, HY0
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hygromycin-B 4-O-kinase (EC 2.7.1.163) | protein | 295 | 47% helix, 20% strand | P00557 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 559 | 0.67 | 0.77 | 71 | ADP, HY0 |
| 2 | 120 | 0.51 | 0.81 | 23 | empty |
Compared structures
- 3W0P · Crystal structure of a thermostable mutant of aminoglycoside phosphotransferase APH(4)-Ia… · the same entry in another collection · chain A against A, TM-score 1.00
- P00557 · AlphaFold monomer V2.0 prediction for hygromycin-B 4-O-kinase (P00557) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P00557
- Elsewhere: RCSB PDB 3W0P · PDBe 3W0P · UniProt P00557
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