Crystal structure of ptlh with FE/OXALYLGLYCINE and ent-1- deoxypentalenic acid bound

Structure

x-ray diffraction · 1 distinct chain · 27% helix, 25% strand (DSSP).

Ligands and binding sites

• OGA · N-oxalylglycine · ligand · chains A
• 1PL · (1S,3aS,5aR,8aS)-1,7,7-trimethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene-4-carboxylic acid · ligand · chains A
• MG · Magnesium ion · metal · 2 copies · chains A
• FE · Fe (III) ion · metal · 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.

Compared structures

• 2RDS · Crystal Structure of PtlH with Fe/oxalylglycine and ent-1-deoxypentalenic acid bound · the same entry in another collection · chain A against A, TM-score 1.00
• Q82IZ1 · AlphaFold monomer V2.0 prediction for 1-deoxypentalenic acid 11-beta- hydroxylase (Q82IZ1) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q82IZ1
• Elsewhere: RCSB PDB 2RDS · PDBe 2RDS · UniProt Q82IZ1