Research workbench
Crystal structure of a GTP-regulated ATP sulfurylase heterodimer from pseudomonas syringae
Analyse Crystal structure of a GTP-regulated ATP sulfurylase heterodimer from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ZUN
- Type
- protein
- Length
- 598 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfate adenylyltransferase subunit 2; Sulfate adenylate transferase, subunit…
- EC
- 2.7.7.4
- UniProt
- Q87WW0
- Ligands
- AGS, GDP, MG, NA
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfate adenylyltransferase subunit 2 (EC 2.7.7.4) | protein | 204 | 42% helix, 12% strand | Q87WW0 |
| B | Sulfate adenylate transferase, subunit 1/ADENYLYLSULFATE kinase | protein | 394 | 16% helix, 35% strand | — |
Ligands and binding sites
- AGS · Phosphothiophosphoric acid-adenylate ester · ligand · chains A
- GDP · Guanosine-5'-diphosphate · ligand · chains B
- MG · Magnesium ion · metal · chains A
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 744 | 0.81 | 0.85 | 79 | empty |
| 2 | 65 | 0.69 | 0.96 | 28 | empty |
| 3 | 472 | 0.66 | 0.78 | 49 | MG, NA, AGS |
| 4 | 149 | 0.53 | 0.80 | 29 | empty |
| 5 | 155 | 0.53 | 0.80 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 2805 Ų buried · 51 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 20 modified (engineered).
Compared structures
- 1ZUN · Crystal Structure of a GTP-Regulated ATP Sulfurylase Heterodimer from Pseudomonas syringae · the same entry in another collection · chain A against A, TM-score 1.00
- Q87WW0 · AlphaFold monomer V2.0 prediction for sulfate adenylyltransferase subunit 2 (Q87WW0) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 Q87WW0
- Elsewhere: RCSB PDB 1ZUN · PDBe 1ZUN · UniProt Q87WW0
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