Research workbench
Identification and characterization of two amino acids critical for the substrate inhibition of SULT2A1
Analyse Identification and characterization of two amino acids critical for the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2QP4
- Type
- protein
- Length
- 279 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bile salt sulfotransferase
- EC
- 2.8.2.14
- UniProt
- Q06520
- Ligands
- AOX
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bile salt sulfotransferase (EC 2.8.2.14) | protein | 279 | 44% helix, 11% strand | Q06520 |
Ligands and binding sites
- AOX · (3Beta,5alpha)-3-Hydroxyandrostan-17-one · ligand · 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 | 663 | 0.77 | 0.82 | 59 | AOX |
| 2 | 103 | 0.57 | 0.85 | 21 | empty |
| 3 | 211 | 0.50 | 0.76 | 24 | empty |
Compared structures
- 2QP4 · Identification and Characterization of Two Amino Acids Critical for the Substrate… · 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 0.96
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 2QP4 · PDBe 2QP4 · UniProt Q06520
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