Identifying and predicting the pathogenic effects of a novel variant inducing severe early onset MMA: a bioinformatics approach

Table 1 Binding affinity and residues in hydrogen bonds to B12 and ATP ligands

Proteins	ΔG_noelec (Kcal/ mol)	Residues in H-bond	ΔG_noelec (Kcal/ mol)	Residues in H-bond	ΔG_noelec (Kcal/ mol)	Residues in H-bond
Proteins	B12-302		B12-303		ATP
MMAB	-8.1	R186 (A), R218 (A), Q122 (C), S126 (C)	-8.1	Q122 (A), S126 (A), I171 (B), R186 (B)	-5.7	T60 (B), K61 (B), G63 (B), S68 (B), K78 (B), R190 (C), E193 (C), R194 (C), N214 (C)
MMAB-R186Q	-8.2	R218 (A), Q122 (C), S126 (C)	-8.3	Q122 (A), S126 (A), I171 (B)	-5.6	K61 (B), T62 (B), G63 (B), S68 (B), S69 (B), K78 (B), R190 (C), E193 (C), R194 (C)
MMAB-R186W	-8.2	W186 (A), R218 (A), Q122 (C), S126 (C)	-8.6	Q122 (A), S126 (A), I171 (B)	-5.6	T60 (B), K61 (B), T62 (B), G63 (B), S68(B), S69 (B), K78 (B), R190 (C), E193 (C), R194 (C), N214 (C)

ISSN: 1601-5223