Research workbench
Bacterial aryl sulfotransferase (asst) soaked with human urine
Analyse Bacterial aryl sulfotransferase (asst) soaked with human urine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4P07
- Type
- protein
- Length
- 1,140 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arylsulfate sulfotransferase asst
- EC
- 2.8.2.22
- UniProt
- E2QE64
- Ligands
- SO4
- Pockets
- 14 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Arylsulfate sulfotransferase asst (EC 2.8.2.22) | protein | 570 | 6% helix, 40% strand | E2QE64 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1146 | 0.71 | 0.75 | 115 | empty |
| 2 | 253 | 0.63 | 0.81 | 23 | empty |
| 3 | 226 | 0.62 | 0.81 | 20 | empty |
| 4 | 291 | 0.61 | 0.79 | 36 | empty |
| 5 | 315 | 0.60 | 0.78 | 36 | empty |
Interfaces
1 interface between chains.
- A–B · 1848 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4P07 · Bacterial aryl sulfotransferase (ASST) soaked with human urine · 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 E2QE64
- Elsewhere: RCSB PDB 4P07 · PDBe 4P07 · UniProt E2QE64
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