MolNFT v1 · #22742 · protein
Mycobacterium smegmatis STF0 sulfotransferase with trehalose
1TEX: “Mycobacterium smegmatis STF0 sulfotransferase with trehalose”. X-ray diffraction, 1 ligand (GLC), 13 pockets (best druggability 0.81). MolNFT v1 #22742 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1TEX
- Type
- protein
- Length
- 973 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- STF0 sulfotransferase
- EC
- 2.8.2.-
- UniProt
- P84151
- Ligands
- GLC
- Pockets
- 13 · best druggability 0.81
Structure
x-ray diffraction · 4 distinct chains · 47% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | STF0 sulfotransferase (EC 2.8.2.-) | protein | 239 | 43% helix, 8% strand | P84151 |
| B | STF0 sulfotransferase (EC 2.8.2.-) | protein | 243 | 48% helix, 8% strand | P84151 |
| C | STF0 sulfotransferase (EC 2.8.2.-) | protein | 244 | 50% helix, 9% strand | P84151 |
| D | STF0 sulfotransferase (EC 2.8.2.-) | protein | 247 | 49% helix, 10% strand | P84151 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 222 | 0.81 | 0.94 | 33 | GLC |
| 2 | 499 | 0.79 | 0.86 | 67 | GLC |
| 3 | 339 | 0.77 | 0.88 | 49 | GLC |
| 4 | 391 | 0.75 | 0.85 | 51 | GLC |
| 5 | 524 | 0.70 | 0.80 | 51 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1360 Ų buried · 12 hydrogen bonds · protein-protein
- C–D · 1271 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 475 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 1TEX · Mycobacterium smegmatis Stf0 Sulfotransferase with Trehalose · 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 P84151
- Elsewhere: RCSB PDB 1TEX · PDBe 1TEX · UniProt P84151
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