3T3Q

human cytochrome p450 2a6 i208s/i300f/g301a/s369g in complex with pilocarpine

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 53
  • Norm. En. per Res.: -2.0278
• 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	0.8938	-108.366	-107.4723	53	4	5	3760	0	0	18
A-C	0.0	0.0	-38.4924	-38.4924	23	0	2	2100	0	0	0
A-D	0.0	0.0	-0.0138	-0.0138	4	0	0	10	0	0	0
B-C	0.0	-3.0292	-91.9894	-95.0186	102	4	0	5086	0	14	17
B-D	0.0	0.0	-36.0752	-36.0752	24	0	2	2000	0	0	0
C-D	0.0	0.8861	-97.2068	-96.3207	55	1	5	3571	0	2	19

Interface residues

• A-B: ARG76A, ARG76B, ARG77A, ARG77B, ASN281A, ASN281B, ASN283A, ASN283B, GLN235A, GLN235B, GLU122A, GLU122B, GLU285A, GLY44A, GLY44B, GLY74A, GLY74B, HIS229A, HIS229B, HIS72A, HIS72B, ILE43A, ILE43B, LEU230A, LEU230B, LEU40A, LEU40B, LYS228A, LYS228B, LYS289B, LYS387A, MET227A, MET227B, PHE223A, PHE223B, PHE42A, PHE42B, PRO231A, PRO231B, PRO282A, PRO282B, PRO41A, PRO41B, PRO75A, PRO75B, SER224A, SER224B, SER225A, SER225B, THR284A, THR284B, VAL226A, VAL226B
• A-C: ARG64C, ASN45C, GLN48A, GLN48C, GLY44A, GLY44C, ILE43A, ILE43C, LEU40A, LEU40C, LEU47A, LEU47C, LEU49C, PHE42A, PRO37C, PRO39A, PRO39C, PRO41A, PRO41C, THR38A, THR38C, TYR46A, TYR46C
• A-D: PRO231A, PRO231D, TYR46A, TYR46D
• B-C: ALA166B, ALA166C, ALA237B, ALA237C, ARG203B, ARG203C, ARG485B, ARG485C, ASN167B, ASN167C, ASN45B, ASN45C, ASN486B, ASN486C, ASN50B, ASN50C, ASP169B, ASP169C, ASP470B, ASP470C, ASP472B, ASP472C, GLN210C, GLN234B, GLN234C, GLN235B, GLN235C, GLN236B, GLN236C, GLN466B, GLN466C, GLN48B, GLN48C, GLN53B, GLN53C, GLU52B, GLU52C, GLY165B, GLY165C, GLY232B, GLY232C, HIS229B, HIS229C, HIS477C, ILE168B, ILE168C, ILE43B, ILE43C, ILE471B, LEU199B, LEU199C, LEU219B, LEU219C, LEU230B, LEU230C, LEU47B, LEU47C, LEU49B, LEU49C, LYS194C, LYS196B, LYS196C, LYS469B, LYS469C, LYS476B, LYS476C, MET227B, MET227C, MET489B, MET489C, PHE173B, PHE173C, PHE211C, PHE223B, PHE223C, PRO231B, PRO231C, PRO233B, PRO233C, SER215B, SER215C, SER465B, SER465C, SER467B, SER490B, SER490C, SER57B, SER57C, THR214B, THR214C, THR216B, THR216C, THR488B, THR488C, THR51B, THR51C, TYR46B, TYR46C, TYR487B, TYR487C, VAL226B, VAL226C
• B-D: ARG64B, ASN45B, GLN48B, GLN48D, GLY44B, GLY44D, ILE43B, ILE43D, LEU40B, LEU40D, LEU47B, LEU47D, LEU49B, PHE223D, PHE42D, PRO37B, PRO39B, PRO39D, PRO41B, PRO41D, THR38B, THR38D, TYR46B, TYR46D
• C-D: ARG76C, ARG76D, ARG77C, ARG77D, ASN281C, ASN281D, ASN283C, ASN283D, GLN235C, GLN235D, GLU122C, GLU122D, GLY44C, GLY44D, GLY74C, GLY74D, HIS229C, HIS229D, HIS72C, HIS72D, ILE43C, ILE43D, LEU230C, LEU230D, LEU40C, LEU40D, LYS112D, LYS228C, LYS228D, LYS289D, LYS387C, LYS387D, MET227C, MET227D, PHE223C, PHE223D, PHE42C, PHE42D, PRO231C, PRO231D, PRO282C, PRO282D, PRO41C, PRO41D, PRO75C, PRO75D, SER224C, SER224D, SER225C, SER225D, THR284D, TYR114C, TYR114D, VAL226C, VAL226D