3SWZ

human cytochrome p450 17a1 in complex with tok-001

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 162
  • Norm. En. per Res.: -4.6893
• 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	-17.516	-3.8321	-169.418	-190.7661	105	5	0	6949	2	43	44
A-C	-6.7522	-7.7954	-47.4797	-62.0274	60	4	0	2502	2	34	28
A-D	-155.118	11.2322	-615.78	-759.6658	162	26	22	24497	0	11	23
B-C	-160.2574	3.945	-560.962	-717.2745	158	28	24	24035	0	13	23
B-D	-4.4922	-7.2798	-52.6713	-64.4433	59	3	0	2435	3	35	28
C-D	0.0	-2.5505	-22.5733	-25.1238	71	1	0	1631	2	36	32

Interface residues

• A-B: ALA158A, ALA158B, ARG239A, ARG239B, ARG500B, ASN161A, ASN161B, ASN190A, ASN190B, ASN196A, ASN196B, ASN200A, ASN200B, ASN202A, ASN202B, ASN208A, ASN208B, ASP155A, ASP155B, ASP166A, ASP166B, ASP192A, ASP192B, ASP207A, ASP207B, ASP241A, ASP469A, ASP469B, ASP470A, ASP470B, GLN163A, GLN163B, GLN199A, GLN199B, GLU194A, GLU194B, GLU203A, GLU203B, GLU230A, GLU230B, GLY162A, GLY162B, GLY191A, GLY191B, GLY204A, GLY204B, GLY471A, GLY471B, HIS160A, HIS160B, HIS235A, HIS235B, ILE165A, ILE165B, ILE198A, ILE198B, ILE238A, ILE238B, ILE493A, ILE493B, LEU157A, LEU157B, LEU195A, LEU195B, LEU232A, LEU242A, LEU242B, LYS189A, LYS189B, LYS227A, LYS227B, LYS231A, LYS231B, LYS237A, LYS237B, LYS490A, LYS490B, LYS492A, LYS492B, LYS494A, LYS494B, MET156A, MET156B, PHE169A, PHE169B, PRO170A, PRO170B, PRO193A, PRO193B, PRO468A, PRO468B, SER164A, SER164B, SER234A, SER234B, THR152A, THR159A, THR159B, THR228A, TYR201A, TYR201B, VAL197A, VAL197B, VAL491A, VAL491B
• A-C: ASN190C, ASN196C, ASN200C, ASN208C, ASN226C, ASN244C, ASN249C, ASN51A, ASP192C, ASP241C, ASP410A, ASP469A, ASP470A, GLN323A, GLN408A, GLN411A, GLN472A, GLU194C, GLU230C, GLU248C, GLU252C, GLU477A, GLY191C, GLY471A, GLY478A, GLY47A, HIS235C, HIS320A, HIS407A, HIS46A, HIS48A, ILE238C, LEU229C, LEU232C, LEU43A, LEU473A, LEU476A, LYS189C, LYS227C, LYS231C, LYS233C, LYS237C, LYS245C, LYS490A, LYS55A, LYS58A, LYS59A, MET413A, PHE412A, PHE54A, PRO193C, PRO225C, PRO409A, PRO468A, PRO474A, SER234C, SER475A, THR228C, VAL197C, VAL467A
• A-D: ALA385A, ALA385D, ARG45A, ARG45D, ARG67A, ARG67D, ASN208A, ASN226A, ASN226D, ASN52D, ASP207A, ASP207D, ASP212A, ASP212D, ASP216A, ASP216D, ASP378A, ASP378D, ASP387A, ASP387D, GLN57D, GLU203A, GLU383A, GLU383D, GLU391D, GLY204A, GLY382A, GLY382D, GLY38A, GLY38D, GLY47A, GLY47D, GLY61A, GLY61D, GLY69A, GLY69D, HIS46A, HIS46D, HIS48D, ILE206A, ILE223A, ILE223D, ILE381A, ILE381D, ILE479D, ILE63A, ILE63D, ILE75A, ILE75D, LEU209A, LEU214D, LEU217A, LEU217D, LEU221A, LEU221D, LEU229A, LEU229D, LEU232A, LEU31A, LEU31D, LEU32A, LEU32D, LEU34A, LEU34D, LEU36A, LEU36D, LEU40A, LEU40D, LEU43A, LEU43D, LEU56A, LEU56D, LEU81A, LEU81D, LYS211A, LYS211D, LYS222A, LYS222D, LYS227A, LYS227D, LYS231A, LYS231D, LYS481A, LYS481D, LYS59A, LYS59D, LYS71A, LYS71D, LYS89A, LYS89D, MET369D, MET49D, MET68A, MET68D, PHE224A, PHE224D, PHE384A, PHE384D, PHE42A, PHE42D, PHE53A, PHE53D, PHE93D, PRO219A, PRO219D, PRO225A, PRO225D, PRO35A, PRO35D, PRO41A, PRO41D, PRO44A, PRO44D, PRO480D, PRO62A, PRO62D, SER210A, SER210D, SER213D, SER30A, SER30D, SER33A, SER33D, SER379A, SER379D, SER380A, SER380D, SER39A, SER39D, SER65A, SER65D, THR228A, THR228D, THR390A, THR390D, THR70A, THR70D, THR72A, THR72D, THR73A, THR73D, TRP220A, TRP220D, TYR60A, TYR60D, TYR64A, TYR64D, VAL215D, VAL218A, VAL218D, VAL37A, VAL37D, VAL386A, VAL386D, VAL392A, VAL392D, VAL66A, VAL66D, VAL74A, VAL74D, VAL76A, VAL76D
• B-C: ALA385B, ALA385C, ARG45B, ARG45C, ARG67B, ARG67C, ASN208B, ASN226B, ASN226C, ASN52C, ASP207B, ASP212B, ASP212C, ASP216B, ASP216C, ASP378B, ASP378C, ASP387B, ASP387C, GLN57C, GLU203B, GLU383B, GLU383C, GLU391C, GLY204B, GLY382B, GLY382C, GLY38B, GLY38C, GLY47B, GLY47C, GLY61B, GLY61C, GLY69B, GLY69C, HIS46B, HIS46C, HIS48B, HIS48C, ILE206B, ILE223B, ILE223C, ILE381B, ILE381C, ILE479C, ILE63B, ILE63C, ILE75B, ILE75C, LEU209B, LEU217B, LEU217C, LEU221B, LEU221C, LEU229B, LEU229C, LEU232B, LEU31B, LEU31C, LEU32B, LEU32C, LEU34B, LEU34C, LEU36B, LEU36C, LEU40B, LEU40C, LEU43B, LEU43C, LEU56B, LEU56C, LEU81B, LEU81C, LYS211B, LYS211C, LYS222B, LYS222C, LYS227B, LYS227C, LYS231B, LYS231C, LYS481B, LYS481C, LYS59B, LYS59C, LYS71B, LYS71C, LYS89C, MET369C, MET49C, MET68B, MET68C, PHE224B, PHE224C, PHE384B, PHE384C, PHE42B, PHE42C, PHE53B, PHE53C, PHE93C, PRO219B, PRO219C, PRO225B, PRO225C, PRO35B, PRO35C, PRO41B, PRO41C, PRO44B, PRO44C, PRO480C, PRO62B, PRO62C, SER210B, SER210C, SER213C, SER33B, SER33C, SER379B, SER379C, SER380B, SER380C, SER39B, SER39C, SER65B, SER65C, THR228B, THR228C, THR390B, THR390C, THR70B, THR70C, THR72B, THR72C, THR73B, THR73C, TRP220B, TRP220C, TYR60B, TYR60C, TYR64B, TYR64C, VAL215C, VAL218B, VAL218C, VAL37B, VAL37C, VAL386B, VAL386C, VAL392B, VAL392C, VAL66B, VAL66C, VAL74B, VAL74C, VAL76B, VAL76C
• B-D: ARG416B, ASN190D, ASN196D, ASN200D, ASN208D, ASN226D, ASN244D, ASN249D, ASN51B, ASP192D, ASP241D, ASP410B, ASP469B, ASP470B, GLN323B, GLN408B, GLN411B, GLN472B, GLU194D, GLU230D, GLU248D, GLU252D, GLU477B, GLY191D, GLY471B, GLY47B, HIS235D, HIS320B, HIS407B, HIS46B, ILE238D, LEU195D, LEU229D, LEU232D, LEU473B, LEU476B, LYS227D, LYS231D, LYS233D, LYS237D, LYS245D, LYS490B, LYS55B, LYS58B, LYS59B, MET413B, PHE412B, PHE54B, PRO193D, PRO225D, PRO409B, PRO468B, PRO474B, SER234D, SER475B, THR228D, TRP397B, VAL197D, VAL467B
• C-D: ALA115C, ALA119C, ALA119D, ARG109C, ARG109D, ASN107C, ASN107D, ASN108C, ASN108D, ASN275C, ASN290C, ASN290D, ASN376C, ASN376D, ASP116C, ASP116D, ASP274C, ASP274D, ASP281C, ASP283C, ASP283D, ASP378C, ASP378D, GLN282C, GLN98C, GLN98D, GLU248C, GLU248D, GLU285C, GLU285D, GLY118C, GLY118D, GLY276C, GLY389C, HIS120C, HIS120D, HIS291C, HIS291D, LEU286C, LEU286D, LEU287D, LYS110C, LYS110D, LYS222C, LYS233C, LYS233D, LYS237D, LYS251C, LYS251D, LYS270C, LYS270D, LYS374C, LYS374D, LYS388C, LYS388D, MET271C, MET271D, SER117C, SER117D, SER273C, SER273D, SER284C, SER284D, SER288C, SER288D, THR70C, THR70D, TRP121C, TRP121D, VAL377C, VAL377D