Research workbench
Crystal structure of a methyltransferase involved in the biosynthesis of gentamicin in complex with (1R,2S,3S,4R,6R)-4,6-diamino-3-{[3- deoxy-4-C-methyl-3-(methylamino)-beta-L-ARABINOPYRANOSYL]OXY}-2- hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside
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
- 5U19
- Type
- protein
- Length
- 311 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative gentamicin methyltransferase
- UniProt
- Q2MG72
- Ligands
- SAH, 827, MG
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative gentamicin methyltransferase | protein | 311 | 33% helix, 29% strand | Q2MG72 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · chains A
- 827 · (1R,2S,3S,4R,6S)-4,6-diamino-3-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-2-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside · ligand · chains A
- MG · Magnesium 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 | 260 | 0.72 | 0.87 | 42 | SAH, 827 |
Compared structures
- 5U19 · 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 5U19 · PDBe 5U19 · UniProt Q2MG72
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