Crystal structure of an engineered tyca variant in complex with an beta-phe-AMP analog

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 27% strand (DSSP).

Ligands and binding sites

• 8PZ · [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-phenyl-propanoyl]sulfamate · ligand · chains A
• SO4 · Sulfate ion · ion · chains A
• BTB · 2-[bis-(2-hydroxy-ethyl)-amino]-2-hydroxymethyl-propane-1,3-diol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Compared structures

• 5N82 · Crystal structure of an engineered TycA variant in complex with an beta-Phe-AMP analog · the same entry in another collection · chain A against A, TM-score 1.00
• P09095 · AlphaFold monomer V2.0 prediction for tyrocidine synthase 1 (P09095) · 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 P09095
• Elsewhere: RCSB PDB 5N82 · PDBe 5N82 · UniProt P09095