wwPDB validation report of PDB entry 5HV8

S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] octanethioate

structures with the least restraint violations

3,3,3-trimethylsilylpropionate, sodium salt

Structures were calculated with no hydrogen bond restraints, and 167 dihedral angle restraints determined using DANGLE

Solution structure of an octanoyl- loaded acyl carrier protein domain from module MLSA2 of the mycolactone polyketide synthase.

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

assessment of nmr assigned chemical shifts

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

geometric validation of nmr ensemble structure

domain identification of nmr ensemble structure

classification of nmr ensemble structure

nmr chemical shift validation and reference correction

random coil index prediction from nmr chemical shifts