Research workbench
Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with the methylated kanamycin B
Analyse Crystal structure of a methyltransferase involved in the biosynthesis of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5U1I
- Type
- protein
- Length
- 309 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative gentamicin methyltransferase
- UniProt
- Q2MG72
- Ligands
- SAH, 7QM, CA
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative gentamicin methyltransferase | protein | 309 | 32% helix, 29% strand | Q2MG72 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · chains A
- 7QM · (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-3-(methylamino)-alpha-D-glucopyranosyl]oxy}-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside · ligand · chains A
- CA · Calcium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 263 | 0.71 | 0.86 | 45 | SAH, 7QM |
Compared structures
- 5U1I · Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in… · 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 Q2MG72
- Elsewhere: RCSB PDB 5U1I · PDBe 5U1I · UniProt Q2MG72
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