Research workbench
Crystal structure of ATP-sulfurylase domain of human paps synthetase 1
Analyse Crystal structure of ATP-sulfurylase domain of human paps synthetase 1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2QJF
- Type
- protein
- Length
- 781 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional 3'-phosphoadenosine 5'- phosphosulfate synthetase 1
- EC
- 2.7.7.4
- UniProt
- O43252
- Ligands
- ADX, K
- Pockets
- 11 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bifunctional 3'-phosphoadenosine 5'- phosphosulfate synthetase 1 (EC 2.7.7.4) | protein | 390 | 38% helix, 21% strand | O43252 |
| B | Bifunctional 3'-phosphoadenosine 5'- phosphosulfate synthetase 1 (EC 2.7.7.4) | protein | 391 | 39% helix, 20% strand | O43252 |
Ligands and binding sites
- ADX · Adenosine-5'-phosphosulfate · ligand · 2 copies · chains A, B
- K · Potassium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 489 | 0.77 | 0.84 | 49 | ADX |
| 2 | 536 | 0.74 | 0.82 | 52 | ADX |
| 3 | 65 | 0.43 | 0.82 | 22 | empty |
| 4 | 88 | 0.42 | 0.78 | 12 | empty |
| 5 | 100 | 0.40 | 0.76 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1467 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 2QJF · Crystal structure of ATP-sulfurylase domain of human PAPS synthetase 1 · the same entry in another collection · chain A against A, TM-score 1.00
- O43252 · AlphaFold monomer V2.0 prediction for bifunctional 3'-phosphoadenosine 5'-phosphosulfate… · 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 O43252
- Elsewhere: RCSB PDB 2QJF · PDBe 2QJF · UniProt O43252
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