Research workbench
Crystal structure of the heterocyclic toxin methyltransferase from mycobacterium tuberculosis with bound methylation product 1- methoxyquinolin-4(1H)-one
Analyse Crystal structure of the heterocyclic toxin methyltransferase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7NMK
- Type
- protein
- Length
- 216 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-heptyl-1-hydroxyquinolin-4(1H)-one methyltransferase
- UniProt
- P9WKL5
- Ligands
- SAH, UJH, NA
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-heptyl-1-hydroxyquinolin-4(1H)-one methyltransferase | protein | 216 | 29% helix, 28% strand | P9WKL5 |
Ligands and binding sites
- SAH · S-adenosyl-L-homocysteine · ligand · chains A
- UJH · 1-methoxy-4-oxoquinoline · ligand · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- FMT · Formic acid · additive · 4 copies · 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 | 522 | 0.75 | 0.83 | 66 | SAH, UJH, NA, FMT |
Compared structures
- 7NMK · Crystal structure of the heterocyclic toxin methyltransferase from Mycobacterium… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WKL5 · AlphaFold monomer V2.0 prediction for 2-heptyl-1-hydroxyquinolin-4(1H)-one… · 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 P9WKL5
- Elsewhere: RCSB PDB 7NMK · PDBe 7NMK · UniProt P9WKL5
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