Research workbench
Schistosoma haematobium (blood fluke) sulfotransferase, S166T mutant
Analyse Schistosoma haematobium (blood fluke) sulfotransferase, S166T mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6B53
- Type
- protein
- Length
- 492 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfotransferase
- EC
- 2.8.2.-
- UniProt
- A0A094ZWQ2
- Ligands
- A3P
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sulfotransferase (EC 2.8.2.-) | protein | 246 | 56% helix, 7% strand | A0A094ZWQ2 |
Ligands and binding sites
- A3P · Adenosine-3'-5'-diphosphate · ligand · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1185 | 0.79 | 0.81 | 115 | A3P, TRS |
| 2 | 327 | 0.75 | 0.86 | 59 | A3P, TRS |
| 3 | 73 | 0.32 | 0.74 | 17 | empty |
| 4 | 71 | 0.30 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 645 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6B53 · Schistosoma haematobium (Blood Fluke) Sulfotransferase, S166T Mutant · 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 A0A094ZWQ2
- Elsewhere: RCSB PDB 6B53 · PDBe 6B53 · UniProt A0A094ZWQ2
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