MolNFT v1 · #163986 · protein
Methyltransferase of the mtga D102A mutant from desulfitobacterium hafniense in complex with methyl-tetrahydrofolate
6SJO · Tetrahydromethanopterin S-methyltransferase: “Methyltransferase of the mtga D102A mutant from desulfitobacterium hafniense in complex with…”. X-ray diffraction, 1 ligand (THH), 7 pockets (best druggability 0.66). MolNFT v1 #163986…
- PDB
- 6SJO
- Type
- protein
- Length
- 608 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetrahydromethanopterin S-methyltransferase
- EC
- 2.1.1.86
- UniProt
- B8FUR2
- Ligands
- THH
- Pockets
- 7 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tetrahydromethanopterin S-methyltransferase (EC 2.1.1.86) | protein | 304 | 45% helix, 19% strand | B8FUR2 |
Ligands and binding sites
- THH · N-[4-({[(6S)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid · ligand · chains A
- GOL · Glycerol · additive · 5 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 400 | 0.66 | 0.79 | 35 | GOL |
| 2 | 395 | 0.60 | 0.76 | 39 | empty |
| 3 | 345 | 0.59 | 0.77 | 34 | THH |
| 4 | 112 | 0.46 | 0.79 | 15 | empty |
| 5 | 110 | 0.38 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1942 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6SJO · Methyltransferase of the MtgA D102A mutant from Desulfitobacterium hafniense in complex… · 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 B8FUR2
- Elsewhere: RCSB PDB 6SJO · PDBe 6SJO · UniProt B8FUR2
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