Tylhi in complex with native substrate 23-deoxy-5-O-mycaminosyl- tylonolide (23-dmtl)

Structure

x-ray diffraction · 2 distinct chains · 53% helix, 11% strand (DSSP).

Ligands and binding sites

• HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
• CGM · (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5, 9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside · ligand · 2 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 18 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 952 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (oxidation).

Compared structures

• 6B11 · TylHI in complex with native substrate 23-deoxy-5-O-mycaminosyl-tylonolide (23-DMTL) · the same entry in another collection · chain A against A, TM-score 1.00
• Q9ZHQ1 · AlphaFold monomer V2.0 prediction for 20-oxo-5-O-mycaminosyltylactone 23-monooxygenase… · a predicted model of the same protein · chain B against A, TM-score 0.97

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 Q9ZHQ1
• Elsewhere: RCSB PDB 6B11 · PDBe 6B11 · UniProt Q9ZHQ1