2HV7

crystal structure of phosphotyrosyl phosphatase activator bound to atpgammas

• Total interactions analyzed: 28
• Total true interactions: 16
• Strongest Interaction:
  • Chains: A-E
  • Int. Res.: 86
  • Norm. En. per Res.: -3.1953
• 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	0.0	6.1623	-1.1749	4.9874	13	0	0	150	0	11	15
A-C	0.0	54.9374	-37.9556	16.9818	52	5	0	1759	1	38	33
A-E	-38.3315	-61.0128	-175.45	-274.7943	86	18	0	8321	5	32	40
A-F	0.0	-15.5776	-31.0641	-46.6417	43	0	0	1729	0	21	27
B-C	0.0	-7.452	-11.2556	-18.7076	19	0	0	665	0	12	14
B-D	-37.2883	-62.8102	-177.675	-277.7736	87	16	0	8376	4	33	40
B-F	0.0	29.8859	-29.8388	0.0471	48	4	0	1571	2	33	36
B-H	-2.1719	-10.3923	-68.3609	-80.9251	54	4	0	3248	5	24	28
C-D	-2.841	-32.3898	-65.0994	-100.3302	53	2	0	3294	5	23	26
D-E	0.0	9.3302	-29.4928	-20.1626	51	3	0	1733	1	33	39
D-G	0.0	18.7129	-4.8489	13.864	17	0	0	286	1	13	17
D-H	0.0	-16.2385	-26.8429	-43.0814	42	1	0	1665	1	20	26
E-F	-13.4665	-37.4868	-79.5108	-130.4641	57	1	0	3741	4	24	28
E-G	0.0	-19.6941	-16.9022	-36.5963	26	0	0	1154	0	12	23
F-G	-27.9947	-60.1338	-165.819	-253.9475	88	18	0	8194	3	31	40
G-H	-2.565	12.0387	-33.0553	-23.5817	55	2	0	1871	1	35	40

Interface residues

• A-B: ALA110A, ALA110B, ASN118A, GLU114A, GLU114B, GLU115A, GLU115B, LYS111A, LYS111B, THR107A, THR107B, VAL94A, VAL94B
• A-C: ALA79A, ARG86A, ARG86C, ASN245A, ASN245C, ASN82A, ASN82C, ASP250A, ASP250C, ASP85A, ASP85C, ASP89A, ASP89C, GLU246A, GLU246C, GLU67A, GLU67C, GLU72A, GLU72C, GLU75A, GLU75C, GLU90A, GLU90C, HIS248A, HIS248C, ILE88A, ILE88C, LEU64C, LYS183A, LYS183C, LYS194A, LYS194C, LYS249A, LYS249C, LYS76A, LYS76C, PHE66C, PRO92A, SER71A, SER71C, THR122C, THR65A, THR65C, THR83C, THR91A, THR91C, TRP87A, TRP87C, VAL70A, VAL70C, VAL78A, VAL78C
• A-E: ALA204A, ALA204E, ARG106A, ARG106E, ARG148A, ARG148E, ARG193A, ARG193E, ARG200A, ARG200E, ARG99A, ARG99E, ASN102A, ASN102E, ASN145A, ASP150A, ASP213E, ASP214A, ASP214E, ASP95E, GLN196A, GLN196E, GLN207A, GLN96A, GLN96E, GLU202A, GLU202E, GLU262A, GLU262E, GLU270A, GLU270E, GLY101A, GLY101E, GLY208A, GLY208E, GLY266A, GLY266E, HIS271A, HIS271E, ILE149A, ILE149E, ILE260A, ILE260E, LEU195E, LYS103A, LYS103E, LYS194E, LYS197A, LYS197E, LYS264A, LYS264E, MET201A, MET201E, MET263A, MET263E, PHE100A, PHE100E, PHE215A, PHE215E, PHE259A, PHE259E, PRO203A, PRO203E, PRO267E, PRO93E, PRO97A, PRO97E, SER146A, SER206A, SER206E, SER98A, SER98E, THR147A, THR147E, THR198A, THR198E, THR261A, THR261E, THR265A, THR265E, TYR151E, TYR199A, TYR199E, VAL209A, VAL209E, VAL94E
• A-F: ALA243F, ARG106A, ARG148A, ARG236F, ASN145A, ASN247F, ASP113A, ASP150A, ASP229F, ASP240F, GLN307A, GLU141A, GLU234F, GLU246F, GLU29A, GLY61F, HIS155A, HIS230F, HIS237F, HIS308A, HIS31A, ILE149A, ILE228F, ILE25A, LEU233F, LYS103A, LYS140A, LYS242F, LYS27A, LYS28A, LYS310A, LYS63F, PHE303A, PHE66F, PRO231F, PRO26A, PRO282F, SER146A, SER283F, THR147A, THR32A, TYR232F, VAL137A
• B-C: ARG106B, ARG148B, ASN145B, ASN247C, ASP229C, GLN307B, GLU246C, HIS230C, HIS237C, HIS308B, HIS31B, LEU233C, LYS103B, LYS242C, LYS28B, LYS310B, PRO231C, THR147B, TYR232C
• B-D: ALA204B, ALA204D, ARG106B, ARG106D, ARG148B, ARG148D, ARG193B, ARG200B, ARG200D, ARG99B, ARG99D, ASN102B, ASN102D, ASN145D, ASP150D, ASP213B, ASP214B, ASP214D, ASP95B, ASP95D, GLN196B, GLN196D, GLN207D, GLN96B, GLN96D, GLU202B, GLU202D, GLU262B, GLU262D, GLU270B, GLU270D, GLY101B, GLY101D, GLY205D, GLY208B, GLY208D, GLY266B, GLY266D, HIS271B, HIS271D, ILE149B, ILE149D, ILE260B, ILE260D, ILE88B, LEU195B, LYS103B, LYS103D, LYS194B, LYS197B, LYS197D, LYS264B, LYS264D, MET201B, MET201D, MET263B, MET263D, PHE100B, PHE100D, PHE215B, PHE215D, PHE259B, PHE259D, PRO203B, PRO203D, PRO267B, PRO93B, PRO97B, PRO97D, SER146D, SER206D, SER98B, SER98D, THR147B, THR147D, THR198B, THR198D, THR261B, THR261D, THR265B, THR265D, TYR151B, TYR199B, TYR199D, VAL209B, VAL209D, VAL94B
• B-F: ALA79B, ALA79F, ARG187F, ARG86B, ARG86F, ASN245F, ASN82B, ASN82F, ASP250B, ASP85B, ASP89B, ASP89F, GLU190F, GLU246F, GLU67B, GLU72B, GLU72F, GLU75B, GLU75F, GLU90B, GLU90F, HIS248B, HIS248F, ILE88B, ILE88F, LEU64B, LYS111B, LYS183B, LYS183F, LYS194B, LYS194F, LYS249B, LYS249F, LYS76B, LYS76F, PRO92B, PRO92F, THR65B, THR65F, THR83F, THR91B, THR91F, TRP87B, TYR68B, VAL70B, VAL70F, VAL78B, VAL78F
• B-H: ALA243B, ALA243H, ALA269B, ALA269H, ALA280B, ARG236B, ARG236H, ASN245B, ASN245H, ASP240B, ASP240H, GLU234B, GLU241B, GLU241H, GLU246B, GLU262B, GLU262H, GLU270B, GLU270H, GLY266B, GLY266H, HIS237B, HIS237H, HIS271B, HIS271H, ILE260B, ILE260H, LEU233B, LEU258B, LEU258H, LYS242B, LYS242H, LYS264B, LYS264H, MET263B, MET263H, PHE238B, PHE259H, PHE268B, PHE268H, PRO235B, PRO267B, PRO267H, SER279B, THR261B, THR261H, THR265B, THR265H, TRP276B, TRP276H, TYR232B, TYR232H, VAL239B, VAL239H
• C-D: ALA243C, ALA243D, ALA269C, ALA269D, ALA280C, ARG236C, ARG236D, ASN245C, ASN245D, ASP240C, ASP240D, GLU234C, GLU241C, GLU241D, GLU246C, GLU262C, GLU262D, GLU270C, GLU270D, GLY266C, GLY266D, HIS237C, HIS237D, HIS271C, HIS271D, ILE260D, LEU233C, LEU233D, LEU258C, LEU258D, LYS242C, LYS242D, LYS264C, LYS264D, MET263C, MET263D, PHE238C, PHE238D, PHE268C, PHE268D, PRO267C, PRO267D, SER279C, THR261C, THR261D, THR265C, THR265D, TRP276C, TRP276D, TYR232C, TYR232D, VAL239C, VAL239D
• D-E: ALA79D, ALA79E, ARG187D, ARG187E, ARG86D, ARG86E, ASN245D, ASN82D, ASN82E, ASP250D, ASP250E, ASP85D, ASP85E, ASP89D, ASP89E, GLU190D, GLU246D, GLU246E, GLU67E, GLU72D, GLU72E, GLU75D, GLU75E, GLU90D, GLU90E, HIS248D, HIS248E, ILE88D, ILE88E, LEU64E, LYS183D, LYS183E, LYS194D, LYS194E, LYS249D, LYS249E, LYS76D, LYS76E, PRO92D, PRO92E, THR65D, THR65E, THR83E, THR91D, THR91E, TRP87D, TRP87E, VAL70D, VAL70E, VAL78D, VAL78E
• D-G: ALA110D, ALA110G, ASN118D, ASP95G, GLN96D, GLU114D, GLU114G, GLU115D, GLU115G, LYS111D, LYS111G, THR107D, THR107G, THR91D, TRP87G, VAL94D, VAL94G
• D-H: ALA243H, ARG106D, ARG148D, ARG236H, ASN145D, ASN247H, ASP113D, ASP150D, ASP229H, ASP240H, GLN307D, GLU141D, GLU234H, GLU246H, GLU29D, HIS155D, HIS230H, HIS237H, HIS308D, HIS31D, ILE228H, ILE25D, ILE30D, LEU233H, LYS103D, LYS140D, LYS242H, LYS27D, LYS28D, LYS310D, LYS63H, PHE303D, PHE66H, PRO231H, PRO26D, PRO282H, SER146D, SER283H, THR147D, THR32D, TYR232H, VAL137D
• E-F: ALA243E, ALA243F, ALA269E, ALA269F, ALA280E, ALA280F, ARG236E, ARG236F, ASN245E, ASN245F, ASP240E, ASP240F, GLU234E, GLU234F, GLU241E, GLU241F, GLU246E, GLU262E, GLU262F, GLU270E, GLU270F, GLY266E, GLY266F, HIS237E, HIS237F, HIS271E, HIS271F, ILE260E, ILE260F, LEU233E, LEU258E, LEU258F, LYS242E, LYS242F, LYS264E, LYS264F, MET263E, MET263F, PHE238E, PHE238F, PHE268E, PHE268F, PRO235E, PRO267E, PRO267F, SER279E, THR261E, THR261F, THR265E, THR265F, TRP276E, TRP276F, TYR232E, TYR232F, VAL239E, VAL239F, VAL244E
• E-G: ARG106G, ARG148G, ASN145G, ASN247E, ASP150G, ASP229E, GLN307G, GLU114G, GLU141G, GLU246E, GLU67E, HIS230E, HIS237E, HIS308G, HIS31G, LEU233E, LYS103G, LYS242E, LYS28G, LYS310G, LYS63E, PRO231E, SER98G, THR147G, TYR232E, TYR251E
• F-G: ALA204F, ALA204G, ARG106F, ARG106G, ARG148F, ARG148G, ARG193G, ARG200F, ARG200G, ARG99F, ARG99G, ASN102F, ASN102G, ASN145F, ASP150F, ASP213G, ASP214F, ASP214G, ASP95F, ASP95G, GLN196F, GLN196G, GLN207F, GLN216G, GLN96F, GLN96G, GLU202F, GLU202G, GLU262F, GLU262G, GLU270F, GLU270G, GLY101F, GLY101G, GLY205F, GLY208F, GLY208G, GLY266F, GLY266G, HIS271F, HIS271G, ILE149F, ILE149G, ILE260F, ILE260G, ILE88G, LEU195G, LYS103F, LYS103G, LYS194G, LYS197F, LYS197G, LYS264F, LYS264G, MET201F, MET201G, MET263F, MET263G, PHE100F, PHE100G, PHE215F, PHE215G, PHE259F, PHE259G, PRO203F, PRO203G, PRO267G, PRO93G, PRO97F, PRO97G, SER146F, SER206F, SER206G, SER98F, SER98G, THR147F, THR147G, THR198F, THR198G, THR261F, THR261G, THR265F, THR265G, TYR199F, TYR199G, VAL209F, VAL209G, VAL94G
• G-H: ALA79G, ALA79H, ARG187H, ARG86G, ARG86H, ASN245H, ASN82G, ASN82H, ASP250G, ASP250H, ASP85G, ASP85H, ASP89G, ASP89H, GLU190H, GLU246G, GLU255H, GLU67G, GLU72G, GLU72H, GLU75G, GLU75H, GLU90G, GLU90H, HIS248G, HIS248H, ILE88G, ILE88H, LEU258H, LEU64G, LEU64H, LYS183G, LYS183H, LYS194G, LYS194H, LYS249G, LYS249H, LYS76G, LYS76H, PHE66G, PRO92G, PRO92H, THR65G, THR65H, THR83G, THR83H, THR91G, THR91H, TRP87G, TRP87H, TYR68G, VAL70G, VAL70H, VAL78G, VAL78H