3ME6

crystal structure of cytochrome 2b4 in complex with the anti-platelet drug clopidogrel

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 79
  • Norm. En. per Res.: -2.5232
• Hub Node: A(2)

All Interactions

Chains	Hydro. Bond Ener. (kJ/mol)	Elec. Ener. (kJ/mol)	VDW. Ener. (kJ/mol)	Tot. Stab. Ener. (kJ/mol)	#int. res.	# Short cont.	#Hydr. int.	#VDW pairs	#salt bridges	#Pot. fav. elec. int	#Pot. unfav. elec. int
A-B	-24.6662	-26.07	-148.599	-199.3352	79	10	6	5824	4	30	25
A-C	0.0	-61.9556	-41.9527	-103.9083	51	3	0	2582	1	40	44
B-D	-5.7956	13.6446	-70.2384	-62.3894	42	2	1	3285	0	8	13
C-D	-28.0309	-20.8915	-146.487	-195.4094	78	10	6	5769	2	29	26

Interface residues

• A-B: ALA416A, ALA416B, ALA419A, ALA419B, ARG323A, ARG323B, ARG358A, ARG358B, ARG400A, ARG400B, ARG422A, ARG422B, ASN409A, ASN409B, ASN417A, ASN417B, ASN423A, ASN423B, ASP398A, ASP398B, ASP415A, ASP415B, GLN330A, GLN330B, GLU355A, GLU355B, GLU403A, GLU403B, GLY411A, GLY411B, GLY418A, GLY418B, HIS319A, HIS319B, HIS412A, HIS412B, LEU313B, LEU414A, LEU414B, LYS316A, LYS316B, LYS326A, LYS326B, LYS421A, LYS421B, MET314A, MET314B, PHE402A, PHE402B, PHE408A, PHE408B, PHE413A, PHE413B, PRO318A, PRO318B, PRO399A, PRO399B, PRO405A, PRO405B, PRO410A, PRO410B, PRO465A, PRO465B, THR321A, THR321B, THR404A, THR404B, THR407A, THR407B, TYR317A, TYR317B, TYR348A, TYR348B, TYR401A, TYR401B, VAL320A, VAL320B, VAL352A, VAL352B
• A-C: ALA339A, ALA339C, ARG140A, ARG140C, ARG151A, ARG151C, ARG158A, ARG336A, ARG336C, ASP341A, ASP341C, ASP342A, ASP342C, GLN147A, GLN147C, GLN330A, GLN330C, GLN455A, GLU143A, GLU143C, GLU144A, GLU144C, GLU148A, GLU148C, GLU155A, GLU155C, GLY138A, GLY138C, GLY333A, GLY333C, HIS335A, HIS335C, ILE332A, ILE332C, LEU340A, LEU340C, LYS139A, LYS139C, LYS159A, LYS345A, LYS345C, PRO337A, PRO337C, PRO338A, PRO338C, SER141A, SER141C, SER334A, SER334C, VAL331A, VAL331C
• B-D: ALA163B, ALA163D, ALA460B, ALA460D, ALA490B, ALA490D, ARG158B, ARG158D, ARG487B, ARG487D, ARG491B, ARG491D, ASP166D, GLN485B, GLN485D, GLY162B, GLY162D, HIS492B, HIS492D, LEU164B, LEU164D, LEU165B, LEU165D, LEU489B, LEU489D, LYS159B, LYS159D, LYS161B, LYS161D, PHE457B, PHE457D, PHE488B, PHE488D, PRO462B, PRO462D, PRO464B, PRO464D, SER160B, SER160D, SER461B, VAL463B, VAL463D
• C-D: ALA416C, ALA416D, ALA419C, ALA419D, ARG323C, ARG323D, ARG358C, ARG358D, ARG400C, ARG400D, ARG422C, ARG422D, ASN409C, ASN409D, ASN417C, ASN417D, ASN423C, ASN423D, ASP398C, ASP398D, ASP415C, ASP415D, GLN330C, GLN330D, GLU355C, GLU355D, GLU403C, GLU403D, GLY411C, GLY411D, GLY418C, GLY418D, HIS319C, HIS319D, HIS412C, HIS412D, LEU313C, LEU414C, LEU414D, LYS316C, LYS316D, LYS326C, LYS326D, LYS421C, LYS421D, MET314C, PHE402C, PHE402D, PHE408C, PHE408D, PHE413C, PHE413D, PRO318C, PRO318D, PRO399C, PRO399D, PRO405C, PRO405D, PRO410C, PRO410D, PRO465C, PRO465D, THR321C, THR321D, THR404C, THR404D, THR407C, THR407D, TYR317C, TYR317D, TYR348C, TYR348D, TYR401C, TYR401D, VAL320C, VAL320D, VAL352C, VAL352D