MolNFT v1 · #150780 · protein
High resolution structure of MET1 from mycobacterium hassiacum in complex with 3-methoxy-1,2-propanediol.
6H40 · Methyltransferase domain protein: “High resolution structure of MET1 from mycobacterium hassiacum in complex with 3-methoxy-1,2-propanediol.”. X-ray diffraction, 4 ligands (FW5, SAH, MG), 1 pocket (best druggability 0.66). MolNFT v1…
- PDB
- 6H40
- Type
- protein
- Length
- 220 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Methyltransferase domain protein
- UniProt
- K5B7F3
- Ligands
- FW5, SAH, MG, CL
- Pockets
- 1 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Methyltransferase domain protein | protein | 220 | 39% helix, 21% strand | K5B7F3 |
Ligands and binding sites
- FW5 · (2~{S})-3-methoxypropane-1,2-diol · ligand · chains A
- SAH · S-adenosyl-L-homocysteine · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- CL · Chloride ion · ion · chains A
- GOL · Glycerol · 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 | 298 | 0.66 | 0.82 | 52 | GOL, FW5, SAH, CL |
Compared structures
- 6H40 · High resolution structure of MeT1 from Mycobacterium hassiacum in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- K5B7F3 · AlphaFold monomer V2.0 prediction for mmp 1-O-methyltransferase (K5B7F3) · 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 K5B7F3
- Elsewhere: RCSB PDB 6H40 · PDBe 6H40 · UniProt K5B7F3
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