MolNFT v1 · #186124 · protein
Structure of a cytosolic sulfotransferase of anopheles gambiae (AGAP001425) in complex with vanillin
7R0S · AGAP001425-pa: “Structure of a cytosolic sulfotransferase of anopheles gambiae (AGAP001425) in complex with vanillin”. X-ray diffraction, 2 ligands (V55, CL), 6 pockets (best druggability 0.83). MolNFT v1 #186124 on GenesisL1: 3D…
- PDB
- 7R0S
- Type
- protein
- Length
- 672 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AGAP001425-pa
- UniProt
- Q7PXJ0
- Ligands
- V55, CL
- Pockets
- 6 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 52% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | AGAP001425-pa | protein | 336 | 52% helix, 11% strand | Q7PXJ0 |
Ligands and binding sites
- V55 · 4-hydroxy-3-methoxybenzaldehyde · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 829 | 0.83 | 0.85 | 76 | V55 |
| 2 | 846 | 0.83 | 0.85 | 77 | V55 |
| 3 | 549 | 0.67 | 0.77 | 61 | empty |
| 4 | 80 | 0.41 | 0.79 | 18 | empty |
| 5 | 54 | 0.30 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1135 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 7R0S · Structure of a cytosolic sulfotransferase of Anopheles gambiae (AGAP001425) in complex… · the same entry in another collection · 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 Q7PXJ0
- Elsewhere: RCSB PDB 7R0S · PDBe 7R0S · UniProt Q7PXJ0
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