MolNFT v1 · #18848 · protein
Crystal structure of human pregnenolone sulfotransferase (SULT2B1A) in the presence of pap
1Q1Q · Sulfotransferase family, cytosolic, 2B, member 1 isoform a: “Crystal structure of human pregnenolone sulfotransferase (SULT2B1A) in the presence of pap”. X-ray diffraction, 2 ligands (A3P, NA), 3 pockets (best druggability 0.80).…
- PDB
- 1Q1Q
- Type
- protein
- Length
- 278 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfotransferase family, cytosolic, 2B, member 1 isoform a
- UniProt
- O00204
- Ligands
- A3P, NA
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfotransferase family, cytosolic, 2B, member 1 isoform a | protein | 278 | 40% helix, 12% strand | O00204 |
Ligands and binding sites
- A3P · Adenosine-3'-5'-diphosphate · ligand · chains A
- NA · Sodium ion · metal · chains A
- NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · 2 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 378 | 0.80 | 0.88 | 46 | A3P, NHE |
| 2 | 59 | 0.51 | 0.86 | 10 | NHE |
| 3 | 50 | 0.37 | 0.81 | 17 | empty |
Compared structures
- 1Q1Q · Crystal structure of human pregnenolone sulfotransferase (SULT2B1a) in the presence of PAP · the same entry in another collection · chain A against A, TM-score 1.00
- O00204 · AlphaFold monomer V2.0 prediction for sulfotransferase 2B1 (O00204) · 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 O00204
- Elsewhere: RCSB PDB 1Q1Q · PDBe 1Q1Q · UniProt O00204
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