MolNFT v1 · #186125 · protein
Structure of a cytosolic sulfotransferase of anopheles gambiae (AGAP001425) in complex with 3'-phosphoadenosine 5-phosphate and vanillin.
7R0U · AGAP001425-pa: “Structure of a cytosolic sulfotransferase of anopheles gambiae (AGAP001425) in complex with…”. X-ray diffraction, 2 ligands (V55, A3P), 5 pockets (best druggability 0.83). MolNFT v1 #186125 on GenesisL1: 3D…
- PDB
- 7R0U
- 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, A3P
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | AGAP001425-pa | protein | 336 | 49% helix, 11% strand | Q7PXJ0 |
Ligands and binding sites
- V55 · 4-hydroxy-3-methoxybenzaldehyde · ligand · 2 copies · chains A, B
- A3P · Adenosine-3'-5'-diphosphate · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 579 | 0.83 | 0.88 | 75 | A3P, V55 |
| 2 | 607 | 0.82 | 0.87 | 81 | V55, A3P |
| 3 | 730 | 0.77 | 0.82 | 80 | empty |
| 4 | 72 | 0.31 | 0.74 | 15 | empty |
| 5 | 75 | 0.31 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 773 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 7R0U · 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 7R0U · PDBe 7R0U · UniProt Q7PXJ0
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