3TK3

cytochrome p450 2b4 mutant l437a in complex with 4-(4-chlorophenyl) imidazole

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 56
  • Norm. En. per Res.: -2.503
• 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-C	-14.9708	-21.6818	-136.832	-173.4845	75	24	6	5855	3	29	25
A-D	0.0	-81.1334	-59.0368	-140.1702	56	5	0	3017	5	46	46
B-C	-24.1455	13.3845	-81.8565	-92.6175	47	4	1	3674	0	8	16
B-D	-13.4656	-19.9132	-115.854	-149.2327	74	15	6	5725	3	29	25

Interface residues

• A-C: ALA416A, ALA416C, ALA419A, ALA419C, ARG323A, ARG323C, ARG358A, ARG358C, ARG400A, ARG400C, ARG422A, ARG422C, ASN409A, ASN409C, ASN417A, ASN417C, ASN423A, ASN423C, ASP398A, ASP398C, ASP415A, ASP415C, GLU355A, GLU355C, GLU403A, GLU403C, GLY411A, GLY411C, GLY418A, GLY418C, HIS319A, HIS319C, HIS412A, HIS412C, LEU313A, LEU313C, LEU359A, LEU414A, LEU414C, LYS316A, LYS316C, LYS421A, LYS421C, PHE402A, PHE402C, PHE408A, PHE408C, PHE413A, PHE413C, PRO318A, PRO318C, PRO399A, PRO399C, PRO405A, PRO405C, PRO410A, PRO410C, PRO465A, PRO465C, THR321A, THR321C, THR404A, THR404C, THR407A, THR407C, TYR317A, TYR317C, TYR348A, TYR348C, TYR401A, TYR401C, VAL320A, VAL320C, VAL352A, VAL352C
• A-D: ALA339A, ALA339D, ARG140A, ARG140D, ARG145A, ARG145D, ARG151A, ARG151D, ARG158A, ARG158D, ARG336A, ARG336D, ASP341A, ASP341D, ASP342A, ASP342D, GLN147A, GLN147D, GLN330A, GLN330D, GLN455A, GLU143A, GLU143D, GLU144A, GLU144D, GLU148A, GLU148D, GLU155A, GLU155D, GLU329A, GLY138A, GLY138D, GLY333A, GLY333D, HIS335A, HIS335D, ILE332A, ILE332D, LEU340A, LEU340D, LYS139A, LYS139D, LYS345A, LYS345D, MET137A, MET137D, PRO337A, PRO337D, PRO338A, PRO338D, SER141A, SER141D, SER334A, SER334D, VAL331A, VAL331D
• B-C: ALA163B, ALA163C, ALA460B, ALA460C, ALA490B, ALA490C, ARG158B, ARG158C, ARG487B, ARG487C, ARG491B, ARG491C, ASP166B, ASP166C, ASP467B, ASP467C, GLN485B, GLN485C, GLY162B, GLY162C, HIS492B, HIS492C, ILE486C, LEU164B, LEU164C, LEU165B, LEU165C, LEU489B, LEU489C, LYS159B, LYS159C, LYS161B, LYS161C, PHE457B, PHE457C, PHE488B, PHE488C, PRO462B, PRO462C, PRO464B, PRO464C, SER160B, SER160C, SER461B, SER461C, VAL463B, VAL463C
• B-D: ALA416B, ALA416D, ALA419B, ALA419D, ARG323B, ARG323D, ARG358B, ARG358D, ARG400B, ARG400D, ARG422B, ARG422D, ASN409B, ASN409D, ASN417B, ASN417D, ASN423B, ASN423D, ASP398B, ASP398D, ASP415B, ASP415D, GLU355B, GLU355D, GLU403B, GLU403D, GLY411B, GLY411D, GLY418B, GLY418D, HIS319B, HIS319D, HIS412B, HIS412D, LEU313D, LEU359D, LEU414B, LEU414D, LYS316B, LYS316D, LYS421B, LYS421D, PHE402B, PHE402D, PHE408B, PHE408D, PHE413B, PHE413D, PRO318B, PRO318D, PRO399B, PRO399D, PRO405B, PRO405D, PRO410B, PRO410D, PRO465B, PRO465D, THR321B, THR321D, THR404B, THR404D, THR407B, THR407D, TYR317B, TYR317D, TYR348B, TYR348D, TYR401B, TYR401D, VAL320B, VAL320D, VAL352B, VAL352D