3T3R

human cytochrome p450 2a6 in complex with pilocarpine

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 50
  • Norm. En. per Res.: -2.3392
• 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	-5.6337	-11.8742	-17.5079	25	0	0	937	0	20	21
A-C	0.0	4.0518	-2.6171	1.4348	28	0	0	451	0	24	16
A-D	-28.5764	-10.8961	-77.4859	-116.9584	50	2	0	3300	2	23	13
B-C	0.0	1.0334	-108.538	-107.5046	54	1	5	3695	0	0	17
B-D	-10.5932	-25.9241	-51.3023	-87.8196	54	7	0	2621	3	30	31

Interface residues

• A-B: ALA95B, ARG143A, ARG333A, ARG339A, ASN338A, ASP377B, ASP93B, GLN150A, GLN340A, GLN94B, GLU147A, GLU96B, GLU97B, GLY336A, ILE335A, LYS32B, LYS342A, LYS348A, LYS376B, LYS379B, PHE380B, PHE384B, PHE98B, THR378B, VAL334A
• A-C: ALA347A, ARG136A, ARG257C, ARG333A, ARG346A, ARG446A, ASP260C, GLN256C, GLN276C, GLN422A, GLU253C, GLU279C, GLU344A, GLY141A, GLY443A, HIS254C, LEU259C, LEU288C, LYS142A, LYS250C, LYS280C, LYS348A, LYS425A, PHE343A, PRO261C, PRO350A, THR258C, TYR287C
• A-D: ALA153D, ALA159A, ALA166A, ARG143D, ARG148D, ARG161A, ARG161D, ARG176A, ARG190D, ARG339D, ARG461A, ARG494A, ASN167A, ASN338D, ASN459D, ASP158D, ASP169A, GLN150D, GLN340D, GLN458D, GLN466A, GLU146D, GLU147D, GLU151D, GLU152D, GLY154D, GLY162A, GLY162D, GLY164A, GLY165A, ILE157D, ILE168A, ILE335D, LEU492A, LYS337D, LYS342D, LYS463A, PHE155D, PHE172A, PHE173A, PHE491A, PRO341D, PRO493A, SER464A, SER465A, SER467A, SER490A, THR163A, THR455D, THR488A
• B-C: ARG76B, ARG76C, ARG77C, ASN281B, ASN281C, ASN283B, ASN283C, GLN234B, GLN235B, GLN235C, GLU122B, GLU122C, GLY44B, GLY44C, GLY74B, GLY74C, HIS229B, HIS229C, HIS72B, HIS72C, ILE43B, ILE43C, LEU230B, LEU230C, LEU40B, LEU40C, LYS228B, LYS228C, LYS289B, LYS289C, LYS387B, LYS387C, MET227B, MET227C, PHE223B, PHE223C, PHE42B, PHE42C, PRO231B, PRO231C, PRO282B, PRO282C, PRO41B, PRO41C, PRO75B, PRO75C, SER224B, SER224C, SER225B, SER225C, THR284B, TYR114B, VAL226B, VAL226C
• B-D: ALA347B, ARG129D, ARG136B, ARG143B, ARG274D, ARG333B, ARG346B, ARG446B, ARG88B, ASN262D, ASN281D, ASN283D, ASN418B, ASN438B, ASP137D, ASP345B, ASP427B, GLN126D, GLN276D, GLN422B, GLU122D, GLU146B, GLU277D, GLU278D, GLU279D, GLU285D, GLU344B, GLU353B, GLU419B, GLU442B, GLY121D, GLY435B, ILE273D, ILE434B, LYS125D, LYS280D, LYS342B, LYS348B, LYS420B, LYS424B, LYS425B, MET349B, MET447B, PHE130D, PHE286D, PHE343B, PHE423B, PRO261D, PRO282D, PRO350B, SER263D, THR284D, VAL334B, VAL92B