3NA0

crystal structure of human cyp11a1 in complex with 20,22- dihydroxycholesterol

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 87
  • Norm. En. per Res.: -2.9679
• 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	-7.3327	-8.4851	-65.7334	-81.5512	55	2	0	2664	0	15	10
A-C	-20.2539	-50.5978	-171.097	-241.9487	84	9	3	7935	3	39	17
B-D	-27.2951	-56.1332	-174.78	-258.2082	87	13	4	7858	4	38	17

Interface residues

• A-B: ALA189A, ALA189B, ARG185B, ARG204B, ASN193A, ASN193B, ASP197A, ASP197B, ASP200B, ASP492A, GLN488A, GLN488B, GLU486A, GLU486B, GLU504A, GLU504B, GLY190A, GLY190B, GLY192A, GLY192B, GLY196A, GLY196B, HIS489A, HIS489B, ILE186A, ILE186B, ILE487A, ILE487B, ILE507A, ILE507B, LEU490A, LYS187A, LYS187B, LYS188A, LYS188B, LYS505A, LYS505B, PHE509B, PHE511B, PRO506A, PRO506B, SER191A, SER191B, SER195A, SER195B, SER199B, SER491A, SER508A, SER508B, THR510A, THR510B, TRP512A, TRP512B, TYR194B, VAL493A
• A-C: ALA108A, ALA153A, ALA160A, ALA163A, ALA45C, ALA51C, ALA81C, ARG151A, ARG451A, ARG460A, ARG465A, ARG466A, ASN117A, ASN155A, ASN452A, ASN75C, ASP72C, ASP76C, ASP79C, CYS462A, CYS46C, CYS52C, CYS92C, GLN156A, GLN372A, GLN461A, GLN93C, GLU114A, GLU157A, GLU162A, GLU469A, GLU47C, GLU73C, GLU74C, GLY115A, GLY44C, GLY456A, GLY458A, GLY48C, LEU154A, LEU371A, LEU373A, LEU441A, LEU453A, LEU463A, LEU470A, LEU50C, LEU78C, LEU80C, LYS112A, LYS148A, LYS149A, LYS310A, LYS378A, LYS382A, LYS445A, MET159A, MET370A, MET77C, PHE111A, PHE43C, PHE450A, PHE455A, PRO104A, PRO116A, PRO118A, PRO161A, PRO375A, SER53C, THR164A, THR448A, THR473A, THR49C, THR54C, THR71C, TRP147A, TRP440A, TRP457A, TYR449A, VAL107A, VAL152A, VAL158A, VAL374A, VAL459A
• B-D: ALA108B, ALA153B, ALA160B, ALA163B, ALA379B, ALA45D, ALA51D, ALA81D, ARG151B, ARG451B, ARG460B, ARG465B, ARG466B, ASN117B, ASN155B, ASN452B, ASN75D, ASP72D, ASP76D, ASP79D, CYS462B, CYS46D, CYS52D, CYS92D, GLN156B, GLN372B, GLN461B, GLN93D, GLU114B, GLU157B, GLU162B, GLU469B, GLU47D, GLU73D, GLU74D, GLY115B, GLY44D, GLY454B, GLY456B, GLY458B, GLY48D, LEU154B, LEU371B, LEU373B, LEU394B, LEU441B, LEU453B, LEU463B, LEU470B, LEU50D, LEU78D, LEU80D, LEU90D, LYS112B, LYS148B, LYS149B, LYS310B, LYS378B, LYS382B, LYS445B, MET159B, MET77D, PHE111B, PHE43D, PHE450B, PHE455B, PRO104B, PRO116B, PRO118B, PRO161B, PRO375B, SER53D, THR164B, THR448B, THR473B, THR49D, THR54D, THR71D, TRP147B, TRP440B, TRP457B, TYR449B, VAL107B, VAL152B, VAL158B, VAL374B, VAL459B