MolNFT v1 · #57811 · protein
Crystal structure of S. tokodaii SUA5 complexed with L-threonine and amppnp
3AJE · Putative uncharacterized protein ST1526: “Crystal structure of S. tokodaii SUA5 complexed with L-threonine and amppnp”. X-ray diffraction, 3 ligands (THR, ANP, NO3), 1 pocket (best druggability 0.64). MolNFT v1 #57811 on GenesisL1…
- PDB
- 3AJE
- Type
- protein
- Length
- 329 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein ST1526
- UniProt
- Q970S6
- Ligands
- THR, ANP, NO3
- Pockets
- 1 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein ST1526 | protein | 329 | 38% helix, 21% strand | Q970S6 |
Ligands and binding sites
- THR · Threonine · ligand · chains A
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- NO3 · Nitrate ion · ion · 6 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 315 | 0.64 | 0.80 | 40 | THR, ANP |
Compared structures
- 3AJE · Crystal structure of S. tokodaii Sua5 complexed with L-threonine and AMPPNP · the same entry in another collection · chain A against A, TM-score 1.00
- Q970S6 · AlphaFold monomer V2.0 prediction for threonylcarbamoyl-AMP synthase (Q970S6) · 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 Q970S6
- Elsewhere: RCSB PDB 3AJE · PDBe 3AJE · UniProt Q970S6
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