. 2014 Dec 23;4:7589. doi: 10.1038/srep07589

Table 2. Comparison of binding affinity of D₂O₂/H₂O₂, Actinomycin D and Norathyriol and against Erk2, p53 and Caspase-8 receptor protein.

Inhibitor/Compound	Target protein/PDB ID	Total Score	Amino acid involved in active pocket in 4 Ă	Involved group of Amino Acid	Length of H-bond Ă	No. of Hydrogen Bond
H₂O₂ (Test substrate)	Erk2/3SA0	3.4751	ILE-31, ALA-52, ILE-84, GLN-106, ASP-106, LEU-107, MET-108, LEU-156	ASP-106 MET-108	1.951.90	2
	p53/3ZME	3.7161	PRO-153, GYS-154, THR-155, ARG-156, ARG-202, PRO-219, CYS-220, GLU-221	GLY-154THR-155CYS-220GLU-221	1.861.881.992.00	4
	Caspase-8/3KJQ	2.6876	GLU-396, PHE-399, THR-469	GLU-396	2.132.15	2
Actinomycin (positive control)	Erk2/3SA0	1.0890	TYR-30, ILE-31, GLY-32, GLU-33, GLY-34, ALA-35, VAL-39, GLU-109, THR-110, ASP-111, TYR-113, LYS-114, LEU-115, LYS-117, LEU-156	-	-	-
	p53/3ZME	3.4505	THR-150, PRO-153, ARG-202, GLU-221, PRO-222, PRO-223, GLU-224, VAL-225		-	-
	Caspase-8/3KJQ	3.3725	PRO-322, TYR-334, GLU-335, SER-338, GLN-339, THR-341, LYS-344, GLU-396, THR-467, THR-469	LYS-344	1.99	1
Norathyriol³⁷	Erk2/3SA0	4.4761	GLY-34, VAL-39, ALA-52, LYS-54, ILE-84, GLN-105, ASP-106, LEU-107, MET-108, ASP-111, LYS-114, LEU-156	MET-108ASP-106GLN-105	1.832.031.96	3
QC5³⁸	p53/3ZME	4.6541	LEU-145, VAL-147, ASP-148, THR-150, PRO-151, PRO-152, PRO-153, CYS-220, GLU-221, PRO-222, THR-230	-	-	-
B94³⁹	Caspase-8/3KJQ	3.8974	TYR-334, THR-337, SER-338, GLU-396, PHE-399, THR-467, PHE-468, THR-469	-	-	-

Table 2. Comparison of binding affinity of D2O2/H2O2, Actinomycin D and Norathyriol and against Erk2, p53 and Caspase-8 receptor protein.