wwPDB validation report of PDB entry 4AYV

{Benzyl-[(S)-3-[((S)-1-carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-amino}-acetic acid

THE N-TERMINAL RESIDUE IS MODIFIED IN CHAIN D. PLEASE REFER TO THE CITATION FOR FURTHER DETAILS.

HYDROGENS GENERATED AT RIDING POSITIONS IN REFMAC BUT NOT OUTPUT. RESIDUES B153 AND B154 HAVE ELECTRON DENSITY WHICH IS HARD TO FIT WITH THE PUBLISHED THROMBIN SEQUENCE.

THROMBIN LIGHT CHAIN (E.C.3.4.21.5), THROMBIN HEAVY CHAIN (E.C.3.4.21.5), HIRUDIN-3A'

The largest off-origin peak in the Patterson function is 5.42% of the height of the origin peak. No significant pseudotranslation is detected.

20191225.v01 (using entries in the PDB archive December 25th 2019)

structure factor analysis and validation

geometric validation package for ligand chemistry in protein x-ray structures