3NA1

crystal structure of human cyp11a1 in complex with 20- hydroxycholesterol

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 85
  • Norm. En. per Res.: -3.0118
• 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	-7.5963	-12.0322	-48.1828	-67.8113	54	1	0	2323	0	15	9
A-C	-39.8524	-54.1265	-162.027	-256.0059	85	15	4	7525	5	36	17
B-D	-21.6518	-42.9406	-164.477	-229.0694	80	11	4	7642	2	32	14

Interface residues

• A-B: ALA150A, ALA150B, ASN154A, ASN154B, ASP158A, ASP158B, ASP161A, ASP161B, ASP453A, GLN449A, GLN449B, GLU447B, GLU465A, GLU465B, GLY151A, GLY151B, GLY153A, GLY153B, GLY157A, GLY157B, HIS450A, HIS450B, ILE147A, ILE147B, ILE448A, ILE448B, ILE468A, ILE468B, LEU451A, LEU451B, LYS148A, LYS148B, LYS149A, LYS149B, LYS466A, LYS466B, PHE470B, PHE472B, PRO467A, PRO467B, SER152A, SER152B, SER156A, SER156B, SER160A, SER452A, SER469A, SER469B, THR471A, THR471B, TRP473A, TRP473B, TYR155B, VAL454A
• A-C: ALA114A, ALA121A, ALA124A, ALA340A, ALA45C, ALA51C, ALA69A, ALA81C, ARG112A, ARG412A, ARG421A, ARG426A, ARG427A, ASN116A, ASN413A, ASN75C, ASN78A, ASP72C, ASP76C, ASP79C, CYS423A, CYS46C, CYS52C, CYS92C, GLN117A, GLN333A, GLN422A, GLN93C, GLU118A, GLU123A, GLU430A, GLU47C, GLU73C, GLU74C, GLU75A, GLY415A, GLY417A, GLY419A, GLY44C, GLY48C, GLY76A, LEU115A, LEU332A, LEU334A, LEU402A, LEU414A, LEU424A, LEU431A, LEU50C, LEU78C, LEU80C, LEU90C, LYS109A, LYS110A, LYS271A, LYS339A, LYS343A, LYS406A, LYS73A, MET120A, MET331A, MET77C, PHE411A, PHE416A, PHE72A, PRO122A, PRO336A, PRO65A, PRO77A, PRO79A, SER53C, THR125A, THR409A, THR434A, THR49C, THR54C, TRP108A, TRP401A, TRP418A, TYR410A, VAL113A, VAL119A, VAL335A, VAL420A, VAL68A
• B-D: ALA114B, ALA121B, ALA124B, ALA340B, ALA45D, ALA51D, ALA69B, ALA81D, ARG112B, ARG412B, ARG421B, ARG426B, ARG427B, ASN116B, ASN413B, ASN75D, ASN78B, ASP76D, ASP79D, CYS423B, CYS46D, CYS52D, CYS92D, GLN117B, GLN333B, GLN422B, GLN93D, GLU118B, GLU123B, GLU430B, GLU47D, GLU73D, GLU74D, GLU75B, GLY417B, GLY419B, GLY48D, GLY76B, LEU115B, LEU129B, LEU332B, LEU402B, LEU414B, LEU424B, LEU431B, LEU50D, LEU78D, LEU80D, LEU90D, LYS109B, LYS110B, LYS271B, LYS339B, LYS343B, LYS406B, LYS73B, MET120B, MET77D, PHE411B, PHE416B, PHE72B, PRO122B, PRO336B, PRO65B, PRO77B, PRO79B, SER403B, SER53D, THR125B, THR409B, THR49D, THR54D, TRP108B, TRP401B, TRP418B, TYR410B, VAL113B, VAL119B, VAL420B, VAL68B