MolNFT v1 · #10989 · protein
Crystal structure of human dehydroepiandrosterone sulfotransferase in complex with substrate
1J99 · Alcohol sulfotransferase: “Crystal structure of human dehydroepiandrosterone sulfotransferase in complex with substrate”. X-ray diffraction, 3 ligands (HGI, AND, IOD), 3 pockets (best druggability 0.81). MolNFT v1 #10989 on…
- PDB
- 1J99
- Type
- protein
- Length
- 284 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol sulfotransferase
- EC
- 2.8.2.2
- UniProt
- Q06520
- Ligands
- HGI, AND, IOD
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alcohol sulfotransferase (EC 2.8.2.2) | protein | 284 | 48% helix, 10% strand | Q06520 |
Ligands and binding sites
- HGI · Mercury (II) iodide · ligand · 3 copies · chains A
- AND · 3-beta-hydroxy-5-androsten-17-one · ligand · chains A
- IOD · Iodide ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 776 | 0.81 | 0.84 | 54 | IOD, AND |
| 2 | 117 | 0.66 | 0.89 | 26 | empty |
| 3 | 236 | 0.52 | 0.76 | 29 | HGI |
Compared structures
- 1J99 · Crystal structure of human dehydroepiandrosterone sulfotransferase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q06520 · AlphaFold monomer V2.0 prediction for sulfotransferase 2A1 (Q06520) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q06520
- Elsewhere: RCSB PDB 1J99 · PDBe 1J99 · UniProt Q06520
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