3T3Z

human cytochrome p450 2e1 in complex with pilocarpine

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 52
  • Norm. En. per Res.: -1.6862
• Hub Node: A(3)

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	0.0	10.8195	-50.3002	-39.4807	49	1	1	2256	1	22	19
A-C	-7.388	4.3487	-6.8769	-9.9161	15	1	0	351	2	23	19
A-D	0.0	0.0	-7.7398	-7.7398	11	0	0	329	0	1	1
B-C	0.0	0.0	-7.6652	-7.6652	8	0	0	354	0	1	1
B-D	0.0	0.0	-87.6799	-87.6799	52	1	2	4781	0	2	1
C-D	0.0	7.1241	-44.1099	-36.9858	44	1	1	1995	2	26	18

Interface residues

• A-B: ALA108B, ALA240B, ARG112B, ARG233B, ARG492A, ASN459A, ASP287B, ASP465A, ASP468A, CYS488A, GLN162A, GLN164A, GLU241B, GLU244B, GLU320A, GLU322A, GLU323A, GLY163A, HIS107B, HIS226B, HIS326A, HIS494A, ILE41B, ILE490A, LEU225B, LEU228B, LEU460A, LEU463A, LYS237B, LYS243B, LYS251B, LYS461A, LYS467A, PHE224B, PHE458A, PRO222B, PRO229B, PRO319A, PRO462A, PRO466A, PRO491A, SER223B, SER247B, SER493A, THR290B, TYR218B, TYR227B, VAL464A, VAL489A
• A-C: ARG159A, ARG159C, ASN192A, ASP190A, ASP190C, ASP193A, GLN162C, GLU156A, GLU156C, HIS152A, HIS152C, LYS160A, LYS160C, PHE153A, PHE153C
• A-D: ARG492A, ARG76D, HIS494A, ILE41D, LEU39D, PHE224D, PRO335A, PRO40D, PRO491A, SER493A, SER74D
• B-C: ARG492C, HIS494C, ILE41B, ILE42B, PHE224B, PRO40B, SER493C, SER74B
• B-D: GLN47B, GLN47D, GLU49B, GLU49D, GLY230B, HIS226B, HIS226D, HIS232B, ILE41B, ILE41D, ILE42B, ILE42D, LEU217B, LEU217D, LEU225B, LEU225D, LEU228B, LEU228D, LEU39B, LEU39D, LEU45B, LEU45D, LEU48B, LEU48D, LEU50B, LEU50D, LYS51B, LYS51D, PHE221B, PHE221D, PHE224B, PHE224D, PHE37B, PHE37D, PHE46B, PHE46D, PRO213B, PRO213D, PRO229B, PRO229D, PRO38B, PRO38D, PRO40B, PRO40D, SER223B, SER223D, TRP214B, TRP214D, TYR227B, TYR227D, VAL72B, VAL72D
• C-D: ALA108D, ALA240D, ARG112D, ARG233D, ARG492C, ASN459C, ASP287D, ASP465C, ASP468C, CYS488C, GLU241D, GLU244D, GLU320C, GLU322C, GLU323C, GLY163C, HIS107D, HIS226D, HIS326C, HIS494C, ILE41D, ILE490C, LEU225D, LEU228D, LEU460C, LYS237D, LYS243D, LYS251D, LYS461C, LYS467C, PHE224D, PRO222D, PRO229D, PRO319C, PRO462C, PRO466C, PRO491C, SER223D, SER247D, SER493C, THR290D, TYR227D, VAL464C, VAL489C