Research workbench
Crystal structure of human cytosolic sulfotransferase SULT2A1 in complex with pap and lithocholic acid
Analyse Crystal structure of human cytosolic sulfotransferase SULT2A1 in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3F3Y
- Type
- protein
- Length
- 1,128 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bile salt sulfotransferase
- EC
- 2.8.2.14
- UniProt
- Q06520
- Ligands
- 4OA, A3P
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Bile salt sulfotransferase (EC 2.8.2.14) | protein | 282 | 46% helix, 11% strand | Q06520 |
Ligands and binding sites
- 4OA · (3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid · ligand · 4 copies · chains A, B, C, D
- A3P · Adenosine-3'-5'-diphosphate · ligand · 4 copies · chains B, A, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 435 | 0.83 | 0.90 | 49 | 4OA, A3P |
| 2 | 1007 | 0.81 | 0.82 | 108 | A3P, 4OA |
| 3 | 478 | 0.81 | 0.88 | 49 | A3P, 4OA |
| 4 | 644 | 0.81 | 0.85 | 72 | A3P, 4OA |
| 5 | 901 | 0.79 | 0.81 | 80 | empty |
Interfaces
2 interfaces between chains.
- A–B · 585 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 521 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3F3Y · Crystal structure of human cytosolic sulfotransferase SULT2A1 in complex with PAP and… · 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 0.99
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 3F3Y · PDBe 3F3Y · UniProt Q06520
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