3MZS

crystal structure of cytochrome p450 cyp11a1 in complex with 22- hydroxy-cholesterol

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 96
  • Norm. En. per Res.: -2.8037
• 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	-43.5135	7.1596	-232.797	-269.1509	96	19	10	9190	3	37	51
A-C	0.0	6.8538	-24.1101	-17.2563	22	3	0	929	0	12	15
C-D	-48.1131	7.5672	-207.989	-248.5348	101	22	8	8894	3	36	50

Interface residues

• A-B: ALA388A, ALA388B, ALA70A, ALA70B, ARG400A, ARG412A, ARG412B, ARG8A, ARG8B, ASN413A, ASN413B, ASP367A, ASP367B, ASP386A, ASP405A, ASP405B, ASP407A, ASP407B, ASP68A, ASP68B, GLN366A, GLN366B, GLN45A, GLN45B, GLU67A, GLU67B, GLU76A, GLY417A, GLY417B, GLY419A, GLY419B, GLY48A, GLY48B, HIS410A, HIS410B, HIS65A, HIS65B, HIS71A, HIS71B, ILE409A, ILE409B, ILE64A, ILE64B, LEU355A, LEU355B, LEU365B, LEU408A, LEU408B, LEU414A, LEU414B, LEU72A, LEU72B, LYS404A, LYS404B, LYS406A, LYS406B, LYS46A, LYS74A, LYS74B, MET383A, MET383B, PHE389A, PHE389B, PHE390A, PHE390B, PHE411A, PHE411B, PHE44A, PHE73A, PHE73B, PHE75B, PRO387A, PRO387B, PRO49A, PRO49B, PRO66A, PRO66B, PRO7B, SER391A, SER391B, SER392A, SER392B, SER403A, SER403B, THR6A, THR6B, TRP401B, TRP418A, TRP418B, TYR47A, TYR47B, VAL364B, VAL378A, VAL378B, VAL69A, VAL69B
• A-C: ARG29A, ARG322C, ARG35A, ARG39A, ASN319C, GLN323C, GLU30A, GLU315C, GLU316C, GLU325C, GLU42A, GLY32A, HIS26A, LEU22A, LEU318C, LYS31A, LYS46A, PHE27A, PHE475C, PRO16A, TRP28A, TYR25A
• C-D: ALA388C, ALA388D, ALA70C, ALA70D, ARG400C, ARG412C, ARG412D, ARG8C, ARG8D, ASN413C, ASN413D, ASP367C, ASP367D, ASP386C, ASP405C, ASP405D, ASP407C, ASP407D, ASP68C, ASP68D, GLN366C, GLN366D, GLN422D, GLN45C, GLN45D, GLU67C, GLU67D, GLU76C, GLU76D, GLY417C, GLY417D, GLY419C, GLY419D, GLY48C, GLY48D, HIS410C, HIS410D, HIS65C, HIS65D, HIS71C, HIS71D, ILE380D, ILE409C, ILE409D, ILE64C, ILE64D, LEU355C, LEU355D, LEU365D, LEU408C, LEU408D, LEU414C, LEU414D, LEU72C, LEU72D, LYS404C, LYS404D, LYS406C, LYS406D, LYS46D, LYS74C, LYS74D, MET383C, MET383D, PHE389C, PHE389D, PHE390C, PHE390D, PHE411C, PHE411D, PHE44C, PHE73C, PHE73D, PHE75D, PRO387C, PRO387D, PRO393D, PRO49C, PRO49D, PRO66C, PRO66D, PRO7D, SER391C, SER391D, SER392C, SER392D, SER403C, SER403D, THR6C, THR6D, TRP418C, TRP418D, TYR47C, TYR47D, VAL364C, VAL364D, VAL378C, VAL378D, VAL420D, VAL69C, VAL69D