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Crystal structure of the ATP sulfurylase domain of human PAPSS2
Analyse Crystal structure of the ATP sulfurylase domain of human PAPSS2 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7FH3
- Type
- protein
- Length
- 782 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
- EC
- 2.7.7.4, 2.7.1.25
- UniProt
- O95340
- Ligands
- BGC, SO4
- Pockets
- 10 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2 (EC 2.7.7.4, 2.7.1.25) | protein | 391 | 38% helix, 19% strand | O95340 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 12 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 436 | 0.74 | 0.83 | 51 | SO4 |
| 2 | 456 | 0.73 | 0.82 | 51 | SO4 |
| 3 | 84 | 0.50 | 0.83 | 24 | empty |
| 4 | 91 | 0.45 | 0.80 | 23 | empty |
| 5 | 84 | 0.38 | 0.77 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1427 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 7FH3 · Crystal structure of the ATP sulfurylase domain of human PAPSS2 · the same entry in another collection · chain A against A, TM-score 1.00
- O95340 · AlphaFold monomer V2.0 prediction for bifunctional 3'-phosphoadenosine 5'-phosphosulfate… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O95340
- Elsewhere: RCSB PDB 7FH3 · PDBe 7FH3 · UniProt O95340
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