Table 2.

Dihedral angles for the thiazolium (φ_T) and 4′-aminopyrimidine (φ_P) rings of ThDP coenzymes found in select human pyruvate dehydrogenase (E1) structures

Values are given as the mean ± S.D. over n ThDP molecules. The value of n depends on the number of heterotetramers (or homodimers, in the case of the E. coli structure) found in the given structure's crystallographic asymmetric unit.

PDB code	Structure	φT (°)	φP (°)	n
1NI4	WT holo E1	95.7 ± 1.0	−67.9 ± 2.6	2
3EXE	WT holo E1	92.9 ± 2.9	−73.2 ± 0.5	4
2OZL	Phosphomimic αS264E E1	93.1 ± 0.3	−71.8 ± 0.1	2
3EXH	Phosphorylated αSer-264 E1	91.1 ± 1.3	−73.9 ± 0.7	4
6CER	αV138M E1	86.5 ± 5.9	−68.5 ± 4.0	4
6CFO	WT–AcPhi E1 adduct	103.4 ± 0.3	−67.3 ± 0.1	2
2IEA	WT E. coli holo E1	110.3 ± 0.3	−68.6 ± 0.5	2