MolNFT v1 · #163970 · protein
Methyltransferase mtga from desulfitobacterium hafniense in complex with tetrahydrofolate
6SJ8 · Tetrahydromethanopterin S-methyltransferase: “Methyltransferase mtga from desulfitobacterium hafniense in complex with tetrahydrofolate”. X-ray diffraction, 3 ligands (44V, NA, SO4), 7 pockets (best druggability 0.65). MolNFT v1…
- PDB
- 6SJ8
- Type
- protein
- Length
- 610 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
- 44V, NA, SO4
- Pockets
- 7 · best druggability 0.65
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 | 305 | 45% helix, 19% strand | B8FUR2 |
Ligands and binding sites
- 44V · (6S)-2-amino-6-methyl-5,6,7,8-tetrahydropteridin-4(3H)-one · ligand · 2 copies · chains A, B
- NA · Sodium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains B
- GOL · Glycerol · additive · 5 copies · chains A, 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 | 368 | 0.65 | 0.79 | 34 | 44V, NA |
| 2 | 228 | 0.64 | 0.83 | 50 | NA |
| 3 | 384 | 0.62 | 0.77 | 41 | 44V |
| 4 | 96 | 0.40 | 0.77 | 15 | empty |
| 5 | 91 | 0.37 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1981 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 6SJ8 · Methyltransferase MtgA from Desulfitobacterium hafniense in complex with tetrahydrofolate · 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 6SJ8 · PDBe 6SJ8 · UniProt B8FUR2
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