Research workbench
Crystal structure of human cytosolic sulfotransferase SULT1B1 in complex with pap and resveratrol
Analyse Crystal structure of human cytosolic sulfotransferase SULT1B1 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
- 3CKL
- Type
- protein
- Length
- 585 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfotransferase family cytosolic 1B member 1
- EC
- 2.8.2.-
- UniProt
- O43704
- Ligands
- STL, A3P
- Pockets
- 4 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfotransferase family cytosolic 1B member 1 (EC 2.8.2.-) | protein | 289 | 43% helix, 10% strand | O43704 |
| B | Sulfotransferase family cytosolic 1B member 1 (EC 2.8.2.-) | protein | 296 | 42% helix, 11% strand | O43704 |
Ligands and binding sites
- STL · Resveratrol · ligand · 2 copies · chains A, B
- A3P · Adenosine-3'-5'-diphosphate · ligand · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1142 | 0.85 | 0.86 | 151 | STL, A3P |
| 2 | 105 | 0.47 | 0.79 | 20 | empty |
| 3 | 97 | 0.34 | 0.73 | 18 | empty |
| 4 | 53 | 0.33 | 0.78 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 535 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 3CKL · Crystal structure of human cytosolic sulfotransferase SULT1B1 in complex with PAP and… · the same entry in another collection · chain A against A, TM-score 1.00
- O43704 · AlphaFold monomer V2.0 prediction for sulfotransferase family cytosolic 1B member 1… · a predicted model of the same protein · 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 O43704
- Elsewhere: RCSB PDB 3CKL · PDBe 3CKL · UniProt O43704
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