2BR8

crystal structure of acetylcholine-binding protein (achbp) from aplysia californica in complex with an alpha- conotoxin pnia variant

• Total interactions analyzed: 45
• Total true interactions: 15
• Strongest Interaction:
  • Chains: E-J
  • Int. Res.: 40
  • Norm. En. per Res.: -3.4965
• 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	-38.8091	-33.8175	-263.076	-335.7026	118	11	2	10910	5	23	19
A-E	-20.5949	-6.3804	-281.827	-308.8022	120	7	2	11226	2	23	19
A-F	-3.3385	0.0	-133.344	-136.6825	41	3	2	4538	0	1	0
A-J	-4.5595	-6.7341	-82.9111	-94.2048	51	0	3	4056	0	3	3
B-C	-21.4842	-18.0956	-261.787	-301.3669	117	15	2	10659	4	20	21
B-F	-12.749	0.0	-98.5848	-111.3338	53	9	3	4296	0	3	3
B-G	-2.3352	0.0	-135.405	-137.7402	42	5	2	4559	0	1	0
C-D	-50.8031	-37.3771	-285.123	-373.3032	119	8	2	11343	6	24	19
C-G	-3.847	1.2128	-96.1785	-98.8127	55	3	3	4159	0	3	3
C-H	-10.3924	0.0	-132.975	-143.3674	42	2	2	4430	0	0	0
D-E	-18.3916	-33.0253	-262.437	-313.8539	119	8	2	10861	6	20	20
D-H	-10.8313	-15.4776	-110.301	-136.6098	54	5	3	4772	2	3	3
D-I	-2.9639	0.0	-142.218	-145.1819	42	3	2	4751	0	0	0
E-I	-7.8518	4.2091	-110.858	-114.5007	55	14	3	5008	0	3	4
E-J	-9.3015	0.0	-130.56	-139.8615	40	2	2	4393	0	0	0

Interface residues

• A-B: ALA105B, ALA118B, ALA139A, ALA168B, ALA2B, ALA90A, ARG120B, ARG14A, ARG205B, ARG6B, ARG77B, ARG95A, ASN3B, ASN46A, ASN61A, ASN72B, ASP126A, ASP24A, ASP25A, ASP37B, ASP42A, ASP49B, ASP75B, ASP87A, CYS125A, CYS138A, GLN103B, GLN119B, GLN1B, GLN36B, GLN98A, GLN98B, GLU151A, GLU204B, GLU47A, GLU54B, GLY143A, GLY20A, GLY71B, ILE104B, ILE116B, ILE152A, ILE38B, ILE73B, ILE88A, LEU100B, LEU121A, LEU35B, LEU4B, LEU50B, LEU60A, LYS141A, LYS171B, LYS23A, LYS40B, LYS8B, MET114B, MET124A, MET17A, MET5B, PHE115B, PHE123A, PHE76B, PRO102B, PRO117B, PRO127A, PRO16A, PRO19A, PRO21A, PRO26A, PRO86A, PRO96A, SER101B, SER122A, SER144A, SER148A, SER15A, SER165B, SER169B, SER170B, SER43A, SER44A, SER62A, SER79B, SER92A, SER93A, SER9B, THR128A, THR137A, THR22A, THR34B, THR45A, THR78B, THR85A, THR89A, THR94A, TRP145A, TRP84A, TYR147A, TYR166B, TYR167B, TYR172B, TYR186A, TYR18A, TYR193A, TYR52B, TYR53B, TYR91A, VAL106B, VAL136A, VAL140A, VAL146A, VAL39B, VAL41B, VAL51B, VAL97A, VAL97B, VAL99B
• A-E: ALA105A, ALA118A, ALA139E, ALA168A, ALA2A, ALA90E, ARG120A, ARG205A, ARG6A, ARG77A, ARG95A, ARG95E, ASN13A, ASN3A, ASN46E, ASN61E, ASP126E, ASP24E, ASP25E, ASP37A, ASP42E, ASP49A, ASP75A, ASP87E, CYS125E, CYS138E, GLN103A, GLN119A, GLN1A, GLN36A, GLN98A, GLN98E, GLU151E, GLU204A, GLU47E, GLU54A, GLY143E, GLY20E, GLY71A, ILE104A, ILE116A, ILE152E, ILE38A, ILE73A, ILE88E, LEU100A, LEU121A, LEU121E, LEU35A, LEU4A, LEU50A, LEU60E, LYS141E, LYS171A, LYS23E, LYS40A, LYS40E, LYS8A, MET114A, MET124E, MET17E, MET5A, PHE115A, PHE123E, PHE76A, PRO102A, PRO117A, PRO127E, PRO16E, PRO19E, PRO21E, PRO26E, PRO86E, PRO96E, SER101A, SER122A, SER122E, SER144E, SER148E, SER15E, SER165A, SER169A, SER170A, SER43E, SER44E, SER62E, SER79A, SER92E, SER93E, SER9A, THR128E, THR137E, THR22E, THR34A, THR45E, THR78A, THR85E, THR89E, THR94E, TRP145E, TRP84E, TYR147E, TYR166A, TYR167A, TYR172A, TYR18E, TYR193E, TYR52A, TYR53A, TYR91E, VAL106A, VAL136E, VAL140E, VAL146E, VAL39A, VAL41A, VAL51A, VAL97A, VAL97E, VAL99A
• A-F: ALA9F, ASN11F, ASN12F, ASP195A, ASP87A, CYS16F, CYS188A, CYS189A, CYS2F, CYS3F, CYS8F, GLN184A, GLU151A, GLU191A, GLY143A, GLY149A, GLY1F, HIS185A, ILE194A, LEU10F, LEU5F, LYS141A, LYS23A, PHE150A, PRO13F, PRO190A, PRO192A, PRO6F, PRO7F, SER144A, SER148A, SER187A, SER4F, THR89A, TRP145A, TYR147A, TYR15F, TYR186A, TYR193A, TYR91A, VAL146A
• A-J: ALA105A, ALA118A, ALA9J, ARG57A, ARG77A, ASN11J, ASN12J, ASP110A, ASP157A, ASP162A, ASP75A, CYS16J, CYS3J, CYS8J, GLN36A, GLN55A, GLN56A, GLU54A, GLY1J, HIS109A, ILE104A, ILE116A, LEU10J, LEU163A, LEU5J, LYS14J, LYS59A, MET114A, PHE115A, PHE76A, PRO102A, PRO117A, PRO13J, PRO6J, PRO7J, SER101A, SER112A, SER164A, SER165A, SER4J, THR108A, THR30A, THR34A, THR74A, THR78A, TYR15J, TYR166A, TYR53A, VAL106A, VAL107A, VAL113A
• B-C: ALA105C, ALA118C, ALA139B, ALA168C, ALA2C, ALA90B, ARG120C, ARG14B, ARG205C, ARG6C, ARG77C, ARG95B, ARG95C, ASN3C, ASN46B, ASN61B, ASN72C, ASP126B, ASP24B, ASP25B, ASP37C, ASP42B, ASP49C, ASP75C, ASP87B, CYS125B, CYS138B, GLN103C, GLN119C, GLN1C, GLN36C, GLN98B, GLN98C, GLU151B, GLU204C, GLU47B, GLU54C, GLY143B, GLY20B, GLY71C, ILE104C, ILE116C, ILE38C, ILE73C, ILE88B, LEU100C, LEU121B, LEU35C, LEU4C, LEU50C, LYS141B, LYS171C, LYS23B, LYS40C, LYS8C, MET114C, MET124B, MET17B, MET5C, PHE115C, PHE123B, PHE76C, PRO102C, PRO117C, PRO127B, PRO16B, PRO19B, PRO21B, PRO86B, PRO96B, SER101C, SER122B, SER122C, SER144B, SER148B, SER15B, SER164C, SER165C, SER169C, SER170C, SER43B, SER44B, SER62B, SER79C, SER92B, SER93B, SER9C, THR128B, THR137B, THR22B, THR45B, THR78C, THR85B, THR89B, THR94B, TRP145B, TRP84B, TYR147B, TYR166C, TYR167C, TYR172C, TYR186B, TYR18B, TYR193B, TYR52C, TYR53C, TYR91B, VAL106C, VAL140B, VAL146B, VAL39C, VAL41C, VAL48B, VAL51C, VAL97B, VAL97C, VAL99C
• B-F: ALA105B, ALA118B, ALA9F, ARG57B, ARG77B, ASN11F, ASN12F, ASP110B, ASP157B, ASP162B, ASP75B, CYS16F, CYS2F, CYS3F, CYS8F, GLN36B, GLN55B, GLN56B, GLU54B, GLY1F, GLY32B, ILE104B, ILE116B, LEU10F, LEU163B, LEU35B, LEU5F, LYS14F, MET114B, PHE115B, PHE33B, PHE76B, PRO102B, PRO117B, PRO13F, PRO6F, PRO7F, SER101B, SER112B, SER164B, SER165B, SER4F, THR108B, THR158B, THR30B, THR34B, THR78B, TYR15F, TYR166B, TYR53B, VAL106B, VAL107B, VAL113B
• B-G: ALA9G, ASN11G, ASN12G, ASP195B, ASP87B, CYS16G, CYS188B, CYS189B, CYS2G, CYS3G, CYS8G, GLN184B, GLU151B, GLU191B, GLY143B, GLY149B, GLY1G, HIS185B, ILE152B, ILE194B, LEU10G, LEU5G, LYS141B, LYS23B, PHE150B, PRO13G, PRO190B, PRO192B, PRO6G, PRO7G, SER144B, SER148B, SER187B, SER4G, THR89B, TRP145B, TYR147B, TYR15G, TYR186B, TYR193B, TYR91B, VAL146B
• C-D: ALA105D, ALA118D, ALA139C, ALA168D, ALA2D, ALA90C, ARG120D, ARG14C, ARG205D, ARG6D, ARG77D, ARG95C, ARG95D, ASN3D, ASN46C, ASN61C, ASN72D, ASP126C, ASP24C, ASP25C, ASP37D, ASP42C, ASP49D, ASP75D, ASP87C, CYS125C, CYS138C, GLN103D, GLN119D, GLN1D, GLN36D, GLN98C, GLN98D, GLU151C, GLU191C, GLU204D, GLU47C, GLU54D, GLY143C, GLY20C, GLY71D, ILE104D, ILE116D, ILE152C, ILE38D, ILE73D, ILE88C, LEU100D, LEU121C, LEU35D, LEU4D, LEU50D, LEU60C, LEU63C, LYS141C, LYS171D, LYS23C, LYS40D, LYS8D, MET114D, MET124C, MET17C, MET5D, PHE115D, PHE123C, PHE76D, PRO102D, PRO117D, PRO127C, PRO16C, PRO19C, PRO21C, PRO86C, PRO96C, SER101D, SER122C, SER122D, SER144C, SER148C, SER15C, SER165D, SER169D, SER170D, SER43C, SER44C, SER62C, SER79D, SER92C, SER93C, THR128C, THR137C, THR22C, THR34D, THR45C, THR78D, THR85C, THR89C, THR94C, TRP145C, TRP84C, TYR147C, TYR166D, TYR167D, TYR172D, TYR18C, TYR193C, TYR52D, TYR53D, TYR91C, VAL106D, VAL140C, VAL146C, VAL39D, VAL41D, VAL48C, VAL51D, VAL97C, VAL97D, VAL99D
• C-G: ALA105C, ALA118C, ALA9G, ARG57C, ARG77C, ASN11G, ASN12G, ASP110C, ASP157C, ASP162C, ASP75C, CYS16G, CYS2G, CYS3G, CYS8G, GLN36C, GLN55C, GLN56C, GLU54C, GLY1G, GLY32C, HIS109C, ILE104C, ILE116C, LEU10G, LEU163C, LEU35C, LEU5G, LYS14G, LYS59C, MET114C, PHE115C, PHE33C, PHE76C, PRO102C, PRO117C, PRO13G, PRO6G, PRO7G, SER101C, SER112C, SER164C, SER165C, SER4G, THR108C, THR158C, THR30C, THR34C, THR78C, TYR15G, TYR166C, TYR53C, VAL106C, VAL107C, VAL113C
• C-H: ALA9H, ASN11H, ASN12H, ASP195C, ASP87C, CYS16H, CYS188C, CYS189C, CYS2H, CYS3H, CYS8H, GLN184C, GLU151C, GLU191C, GLY143C, GLY149C, GLY1H, HIS185C, ILE152C, ILE194C, LEU10H, LEU5H, LYS141C, LYS23C, PHE150C, PRO190C, PRO192C, PRO6H, PRO7H, SER144C, SER148C, SER187C, SER4H, THR22C, THR89C, TRP145C, TYR147C, TYR15H, TYR186C, TYR193C, TYR91C, VAL146C
• D-E: ALA105E, ALA118E, ALA139D, ALA168E, ALA2E, ALA90D, ARG120E, ARG14D, ARG205E, ARG6E, ARG77E, ARG95D, ARG95E, ASN13E, ASN3E, ASN46D, ASN61D, ASN72E, ASP126D, ASP24D, ASP25D, ASP37E, ASP42D, ASP49E, ASP75E, ASP87D, CYS125D, CYS138D, GLN103E, GLN119E, GLN1E, GLN36E, GLN98E, GLU151D, GLU47D, GLU54E, GLY143D, GLY20D, GLY71E, ILE104E, ILE116E, ILE152D, ILE38E, ILE73E, ILE88D, LEU100E, LEU121D, LEU35E, LEU4E, LEU50E, LEU7E, LYS141D, LYS171E, LYS23D, LYS40E, LYS8E, MET114E, MET124D, MET17D, MET5E, PHE115E, PHE123D, PHE76E, PRO102E, PRO117E, PRO127D, PRO16D, PRO19D, PRO21D, PRO86D, PRO96D, SER101E, SER122D, SER122E, SER144D, SER148D, SER15D, SER164E, SER165E, SER169E, SER170E, SER43D, SER44D, SER62D, SER79E, SER92D, SER93D, SER9E, THR128D, THR137D, THR22D, THR45D, THR74E, THR78E, THR85D, THR89D, THR94D, TRP145D, TRP84D, TYR147D, TYR166E, TYR167E, TYR172E, TYR186D, TYR18D, TYR193D, TYR52E, TYR53E, TYR91D, VAL106E, VAL136D, VAL140D, VAL146D, VAL39E, VAL41E, VAL51E, VAL97D, VAL97E, VAL99E
• D-H: ALA105D, ALA118D, ALA9H, ARG57D, ARG77D, ASN11H, ASN12H, ASP110D, ASP157D, ASP162D, ASP75D, CYS16H, CYS2H, CYS3H, CYS8H, GLN103D, GLN36D, GLN55D, GLN56D, GLU54D, GLY111D, GLY1H, HIS109D, ILE104D, ILE116D, LEU10H, LEU163D, LEU5H, LYS14H, LYS59D, MET114D, PHE115D, PHE76D, PRO102D, PRO117D, PRO13H, PRO6H, PRO7H, SER101D, SER112D, SER164D, SER165D, SER4H, THR108D, THR30D, THR34D, THR78D, TRP58D, TYR15H, TYR166D, TYR53D, VAL106D, VAL107D, VAL113D
• D-I: ALA90D, ALA9I, ASN11I, ASN12I, ASP195D, ASP87D, CYS16I, CYS188D, CYS189D, CYS2I, CYS3I, CYS8I, GLN184D, GLU151D, GLU191D, GLY143D, GLY149D, GLY1I, HIS185D, ILE152D, ILE194D, LEU10I, LEU5I, LYS141D, LYS23D, PHE150D, PRO190D, PRO192D, PRO6I, PRO7I, SER144D, SER148D, SER187D, SER4I, THR89D, TRP145D, TYR147D, TYR15I, TYR186D, TYR193D, TYR91D, VAL146D
• E-I: ALA105E, ALA118E, ALA9I, ARG57E, ARG77E, ASN11I, ASN12I, ASP110E, ASP157E, ASP162E, ASP75E, CYS16I, CYS2I, CYS3I, CYS8I, GLN36E, GLN55E, GLN56E, GLU54E, GLY1I, GLY32E, ILE104E, ILE116E, LEU10I, LEU163E, LEU35E, LEU5I, LYS14I, LYS59E, MET114E, PHE115E, PHE33E, PHE76E, PRO102E, PRO117E, PRO13I, PRO6I, PRO7I, SER101E, SER112E, SER164E, SER165E, SER4I, THR108E, THR158E, THR30E, THR34E, THR78E, TRP58E, TYR15I, TYR166E, TYR53E, VAL106E, VAL107E, VAL113E
• E-J: ALA9J, ASN11J, ASN12J, ASP195E, ASP87E, CYS16J, CYS188E, CYS189E, CYS2J, CYS3J, CYS8J, GLN184E, GLU151E, GLU191E, GLY143E, GLY149E, GLY1J, HIS185E, ILE194E, LEU10J, LEU5J, LYS141E, LYS23E, PHE150E, PRO190E, PRO192E, PRO6J, PRO7J, SER144E, SER148E, SER187E, SER4J, THR89E, TRP145E, TYR147E, TYR15J, TYR186E, TYR193E, TYR91E, VAL146E