Research workbench
Estrogen sulfotransferase with inactive cofactor pap and vanadate
Analyse Estrogen sulfotransferase with inactive cofactor pap and vanadate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1BO6
- Type
- protein
- Length
- 564 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estrogen sulfotransferase
- EC
- 2.8.2.4
- UniProt
- P49891
- Ligands
- A3P, VO4
- Pockets
- 5 · best druggability 0.89
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Estrogen sulfotransferase (EC 2.8.2.4) | protein | 282 | 44% helix, 12% strand | P49891 |
| B | Estrogen sulfotransferase (EC 2.8.2.4) | protein | 282 | 44% helix, 12% strand | P49891 |
Ligands and binding sites
- A3P · Adenosine-3'-5'-diphosphate · ligand · 2 copies · chains A, B
- VO4 · Vanadate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1177 | 0.89 | 0.90 | 133 | VO4, A3P |
| 2 | 192 | 0.46 | 0.75 | 23 | empty |
| 3 | 90 | 0.39 | 0.76 | 18 | empty |
| 4 | 87 | 0.36 | 0.75 | 16 | empty |
| 5 | 97 | 0.35 | 0.74 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 800 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
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 P49891
- Elsewhere: RCSB PDB 1BO6 · PDBe 1BO6 · UniProt P49891
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