2ZF4

crystal structure of vioe complexed with phenylpyruvic acid

• Total interactions analyzed: 15
• Total true interactions: 8
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 175
  • Norm. En. per Res.: -3.2169
• Hub Node: A(4)

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	-93.9583	-13.2368	-466.028	-573.2231	179	26	11	19819	4	34	37
A-C	-7.1123	4.6631	-20.3676	-22.8167	38	0	1	1114	0	12	19
A-E	0.0	1.2174	-0.7234	0.4941	7	0	0	94	0	2	3
A-F	-22.4584	1.8048	-76.7273	-97.3809	63	3	0	3328	0	23	25
B-C	0.0	0.0	-0.1979	-0.1979	4	0	0	47	0	2	3
B-F	0.0	0.0	-0.1435	-0.1435	4	0	0	49	0	3	2
C-D	-104.2083	-7.2838	-451.469	-562.9611	175	26	13	19073	4	34	36
E-F	-82.8497	-15.397	-422.94	-521.1867	170	20	13	18104	2	32	34

Interface residues

• A-B: ALA166A, ALA166B, ALA169A, ALA169B, ALA16A, ALA16B, ALA180A, ALA180B, ALA185A, ALA185B, ALA188A, ALA188B, ALA81A, ALA81B, ALA88A, ARG126A, ARG126B, ARG131A, ARG131B, ARG159A, ARG159B, ARG168A, ARG168B, ARG172A, ARG172B, ARG191A, ARG45A, ARG45B, ARG61A, ARG61B, ARG84A, ARG84B, ARG86B, ARG96A, ARG96B, ASN176A, ASN176B, ASN51A, ASN51B, ASP100A, ASP151B, ASP164A, ASP164B, ASP173A, ASP173B, ASP27A, ASP28A, ASP28B, ASP47A, ASP47B, CYS35A, CYS35B, CYS94A, CYS94B, GLN29A, GLN29B, GLN78A, GLN78B, GLN92A, GLN92B, GLU165A, GLU165B, GLU179A, GLU181A, GLU181B, GLU55A, GLU55B, GLU66A, GLU66B, GLU85A, GLU85B, GLU91A, GLU91B, GLU95A, GLU95B, GLY130A, GLY130B, GLY33A, GLY33B, GLY48A, GLY48B, GLY83A, GLY83B, GLY90A, ILE182A, ILE182B, ILE46A, ILE46B, LEU129A, LEU129B, LEU158A, LEU158B, LEU171A, LEU171B, LEU25A, LEU25B, LEU30A, LEU30B, LEU49A, LEU49B, LEU62A, LEU62B, LEU89A, LEU93A, LEU93B, LYS190A, LYS79A, LYS79B, MET24A, MET24B, MET64A, MET64B, PHE174A, PHE174B, PHE50A, PHE50B, PRO175A, PRO175B, PRO183A, PRO183B, PRO23A, PRO23B, PRO26A, PRO26B, PRO97A, PRO97B, SER14A, SER14B, SER15A, SER15B, SER167A, SER167B, SER178A, SER178B, SER19A, SER19B, SER22A, SER22B, SER32A, SER32B, SER65A, SER65B, THR156B, THR31A, THR31B, THR87A, THR87B, TRP21A, TRP21B, TRP36A, TRP36B, TRP63A, TRP63B, TRP76A, TRP76B, TYR17A, TYR17B, TYR20A, TYR20B, TYR34A, TYR34B, TYR60A, TYR60B, TYR82A, TYR82B, VAL127A, VAL127B, VAL128A, VAL128B, VAL177A, VAL177B, VAL186A, VAL186B, VAL18A, VAL18B, VAL67A, VAL67B, VAL80A, VAL80B
• A-C: ALA152A, ALA153A, ALA180A, ARG116A, ARG125A, ARG12A, ARG168C, ARG56C, ASP151A, ASP164C, ASP27C, ASP28C, ASP57C, CB7.71109-4.60851, GLU179A, GLU181A, GLU5A, GLU5A5, GLY142C, GLY144C, GLY59C, LEU25C, LEU8A, LYS143C, PRO10A, PRO141C, PRO26C, PRO6A, PRO7A, SER154A, SER167C, SER178A, SER54C, THR156A, THR58C, TRP53C, TYR60C, VAL177A
• A-E: ALA166A, ARG56E, ASP164A, GLU91E, GLY142A, GLY90E, SER167A
• A-F: ALA166F, ALA169A, ALA169F, ARG140A, ARG168A, ARG168F, ARG172A, ARG56A, ARG56F, ARG86F, ASN51A, ASP164A, ASP27A, ASP27F, ASP28A, ASP28F, ASP57A, ASP57F, GLU55A, GLU55F, GLY144A, GLY163A, GLY59A, GLY59F, LEU25A, LEU25F, LEU62A, LEU62F, LYS143A, LYS143F, LYS77A, LYS77F, LYS79A, LYS79F, MET24A, MET24F, PHE109A, PHE109F, PHE50A, PHE50F, PRO104A, PRO145A, PRO23A, PRO23F, PRO26A, PRO26F, PRO52A, PRO52F, SER167A, SER167F, SER170A, SER22A, SER54A, SER54F, THR162A, THR58A, THR58F, TRP21A, TRP21F, TRP53A, TRP53F, TYR60A, TYR60F
• B-C: ALA185B, ALA188B, ARG56C, ASP57C
• B-F: ARG86B, ASP164F, GLU91B, SER167F
• C-D: ALA166C, ALA16C, ALA16D, ALA180C, ALA180D, ALA185C, ALA185D, ALA188C, ALA188D, ALA189D, ALA81C, ALA81D, ARG126C, ARG126D, ARG131C, ARG131D, ARG159C, ARG159D, ARG172C, ARG172D, ARG191C, ARG45C, ARG45D, ARG61C, ARG61D, ARG84C, ARG84D, ARG96C, ARG96D, ASN176C, ASN176D, ASN51C, ASN51D, ASP100C, ASP151D, ASP173C, ASP173D, ASP184C, ASP184D, ASP27D, ASP28C, ASP28D, ASP47C, ASP47D, CYS35C, CYS35D, CYS94C, CYS94D, GLN29C, GLN29D, GLN78C, GLN78D, GLN92C, GLN92D, GLU132D, GLU165C, GLU165D, GLU179C, GLU179D, GLU181C, GLU181D, GLU55C, GLU55D, GLU66C, GLU66D, GLU85D, GLU91C, GLU91D, GLU95C, GLU95D, GLY130C, GLY130D, GLY33C, GLY33D, GLY48C, GLY48D, GLY83C, GLY83D, GLY90D, ILE182C, ILE182D, ILE46C, ILE46D, LEU129C, LEU129D, LEU158C, LEU158D, LEU171C, LEU171D, LEU25C, LEU25D, LEU30C, LEU30D, LEU49C, LEU49D, LEU62C, LEU62D, LEU89D, LEU93C, LEU93D, LEU98C, LEU98D, LYS190C, LYS79C, LYS79D, MET24C, MET24D, MET64C, MET64D, PHE174C, PHE174D, PHE50C, PHE50D, PRO157D, PRO175C, PRO175D, PRO183C, PRO183D, PRO23C, PRO23D, PRO26C, PRO26D, PRO97C, PRO97D, SER14C, SER14D, SER15C, SER15D, SER167C, SER178C, SER178D, SER19C, SER19D, SER22C, SER22D, SER32C, SER32D, SER65C, SER65D, THR156D, THR31C, THR31D, THR87D, TRP21C, TRP21D, TRP36C, TRP36D, TRP63C, TRP63D, TRP76C, TRP76D, TYR17C, TYR17D, TYR20C, TYR20D, TYR34C, TYR34D, TYR60C, TYR60D, TYR82C, TYR82D, VAL127C, VAL127D, VAL128C, VAL128D, VAL177C, VAL177D, VAL186C, VAL186D, VAL18C, VAL18D, VAL67C, VAL67D, VAL80C, VAL80D
• E-F: ALA166F, ALA169F, ALA16E, ALA16F, ALA180E, ALA180F, ALA185E, ALA185F, ALA188E, ALA188F, ALA189F, ALA81E, ALA81F, ALA88F, ARG126F, ARG131E, ARG131F, ARG159E, ARG159F, ARG172E, ARG172F, ARG45E, ARG45F, ARG61E, ARG61F, ARG84E, ARG84F, ARG86F, ARG96E, ARG96F, ASN176E, ASN176F, ASN51E, ASP173E, ASP173F, ASP184E, ASP184F, ASP27F, ASP28E, ASP28F, ASP47E, ASP47F, CYS35E, CYS35F, CYS94E, CYS94F, GLN29E, GLN29F, GLN78E, GLN78F, GLN92E, GLN92F, GLU165F, GLU179E, GLU179F, GLU181E, GLU181F, GLU55E, GLU55F, GLU66E, GLU66F, GLU85E, GLU85F, GLU91E, GLU91F, GLU95E, GLU95F, GLY130E, GLY130F, GLY33E, GLY33F, GLY48E, GLY48F, GLY83E, GLY83F, GLY90E, ILE182E, ILE182F, ILE46E, ILE46F, LEU129E, LEU129F, LEU158E, LEU158F, LEU171E, LEU171F, LEU25E, LEU25F, LEU30E, LEU30F, LEU49E, LEU49F, LEU62E, LEU62F, LEU93E, LEU93F, LEU98E, LEU98F, LYS190E, LYS79E, LYS79F, MET24E, MET24F, MET64E, MET64F, PHE174E, PHE174F, PHE50E, PHE50F, PRO175E, PRO175F, PRO183E, PRO183F, PRO23E, PRO23F, PRO26E, PRO26F, PRO97E, PRO97F, SER14E, SER14F, SER15E, SER15F, SER167E, SER167F, SER178E, SER178F, SER19E, SER19F, SER22E, SER22F, SER32E, SER32F, SER65E, SER65F, THR31E, THR31F, THR87F, TRP21E, TRP21F, TRP36E, TRP36F, TRP63E, TRP63F, TRP76E, TRP76F, TYR17E, TYR17F, TYR20E, TYR20F, TYR34E, TYR34F, TYR60E, TYR60F, TYR82E, TYR82F, VAL127E, VAL127F, VAL128E, VAL128F, VAL177E, VAL177F, VAL186E, VAL186F, VAL18E, VAL18F, VAL67E, VAL67F, VAL80E, VAL80F