1MB2

crystal structure of tryptophanyl-trna synthetase complexed with tryptophan in an open conformation

• Total interactions analyzed: 15
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-E
  • Int. Res.: 189
  • Norm. En. per Res.: -4.3186
• 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-D	-120.0058	-130.8616	-565.806	-816.6734	192	29	18	23120	10	41	29
A-E	-38.5529	-27.0073	-76.7055	-142.2658	47	9	0	3064	1	23	23
B-E	-104.2883	-139.2868	-572.644	-816.2191	189	22	19	23252	11	40	28
C-F	-108.8556	-129.2603	-586.284	-824.3998	191	31	18	23629	10	42	31
E-F	0.0	0.0	-0.0045	-0.0045	5	0	0	6	0	7	6

Interface residues

• A-D: ALA117A, ALA117D, ALA120A, ALA120D, ALA304A, ALA304D, ALA321A, ALA321D, ALA44A, ALA44D, ALA62A, ALA62D, ALA85A, ALA85D, ALA87A, ALA87D, ALA89A, ALA89D, ALA90A, ALA90D, ARG104D, ARG160A, ARG160D, ARG164A, ARG164D, ARG298A, ARG298D, ARG316A, ARG316D, ARG326A, ARG326D, ARG55A, ARG55D, ARG59A, ARG59D, ASP297A, ASP297D, ASP301A, ASP301D, ASP41A, ASP41D, ASP50A, ASP50D, CYS95A, CYS95D, GLN320A, GLN320D, GLN42A, GLN42D, GLN49A, GLN49D, GLN56A, GLN56D, GLN80A, GLN80D, GLN88A, GLN88D, GLN94A, GLN94D, GLU101A, GLU101D, GLU103A, GLU103D, GLU110A, GLU110D, GLU116A, GLU116D, GLU294A, GLU294D, GLU295A, GLU295D, GLU302A, GLU302D, GLU305A, GLU305D, GLU319A, GLU319D, GLU53A, GLU53D, GLU82A, GLU82D, GLY100A, GLY100D, GLY114D, GLY121A, GLY121D, GLY303A, GLY303D, GLY323A, GLY323D, GLY325A, GLY325D, HIS43A, HIS43D, HIS52A, HIS52D, HIS86A, HIS86D, ILE39A, ILE39D, ILE45A, ILE45D, ILE58A, ILE58D, ILE79A, ILE79D, ILE96A, ILE96D, ILE99A, ILE99D, LEU102A, LEU102D, LEU122A, LEU122D, LEU123A, LEU123D, LEU128A, LEU128D, LEU296A, LEU296D, LEU300A, LEU300D, LEU324A, LEU324D, LEU54A, LEU54D, LEU77A, LEU77D, LEU93A, LEU93D, LYS111A, LYS111D, LYS115A, LYS115D, LYS317A, LYS317D, MET129A, MET129D, MET318A, MET318D, MET322A, MET322D, MET92A, MET92D, PHE108A, PHE108D, PHE161A, PHE161D, PHE78A, PHE78D, PRO10A, PRO10D, PRO126A, PRO126D, PRO127A, PRO127D, PRO51A, PRO51D, PRO84A, PRO84D, SER119A, SER119D, SER81A, SER81D, THR124A, THR124D, THR46A, THR46D, TRP48A, TRP48D, TRP91A, TRP91D, TYR125A, TYR125D, TYR165A, TYR165D, TYR98A, TYR98D, VAL118A, VAL118D, VAL299A, VAL299D, VAL315A, VAL315D, VAL40A, VAL40D, VAL47A, VAL47D, VAL83A, VAL83D, VAL97A, VAL97D
• A-E: ALA210E, ALA270E, ALA273E, ALA304A, ALA307A, ALA75A, ARG298A, ARG309A, ASN308A, ASN34A, ASP271E, ASP301A, ASP71A, GLN274E, GLN30A, GLN74A, GLU214E, GLU302A, GLU305A, GLU32A, GLY226E, GLY262E, GLY264E, GLY266E, GLY303A, HIS31A, ILE228E, ILE277E, LEU272E, LYS211E, LYS215E, LYS218E, LYS263E, LYS269E, LYS306A, MET1A, PHE268E, PRO72A, SER219E, THR73A, TYR245E, TYR260E, TYR265E, TYR33A, VAL267E, VAL275E, VAL310A
• B-E: ALA117B, ALA117E, ALA120B, ALA120E, ALA304B, ALA304E, ALA321B, ALA321E, ALA44B, ALA44E, ALA62B, ALA62E, ALA85B, ALA85E, ALA87B, ALA87E, ALA89B, ALA89E, ALA90B, ALA90E, ARG160B, ARG160E, ARG164B, ARG164E, ARG298B, ARG298E, ARG316B, ARG316E, ARG326B, ARG326E, ARG55B, ARG55E, ARG59B, ARG59E, ASN57B, ASN57E, ASP297B, ASP297E, ASP301B, ASP301E, ASP41B, ASP41E, ASP50B, ASP50E, CYS95B, CYS95E, GLN320B, GLN320E, GLN42B, GLN42E, GLN49B, GLN49E, GLN56B, GLN56E, GLN80B, GLN80E, GLN88B, GLN88E, GLN94B, GLN94E, GLU101B, GLU101E, GLU103B, GLU103E, GLU110E, GLU116B, GLU116E, GLU294B, GLU294E, GLU295E, GLU302B, GLU302E, GLU305E, GLU319B, GLU319E, GLU53B, GLU53E, GLU82B, GLU82E, GLY100B, GLY100E, GLY121B, GLY121E, GLY303B, GLY303E, GLY323B, GLY323E, GLY325B, GLY325E, HIS43B, HIS43E, HIS52B, HIS52E, HIS86B, HIS86E, ILE39B, ILE39E, ILE45B, ILE45E, ILE58B, ILE58E, ILE79B, ILE79E, ILE96B, ILE96E, ILE99B, ILE99E, LEU102B, LEU102E, LEU122B, LEU122E, LEU123B, LEU123E, LEU128B, LEU128E, LEU157E, LEU296B, LEU296E, LEU300B, LEU300E, LEU324B, LEU324E, LEU54B, LEU54E, LEU77B, LEU77E, LEU93B, LEU93E, LYS111B, LYS111E, LYS115B, LYS115E, LYS317B, MET129B, MET129E, MET318B, MET318E, MET322B, MET322E, MET92B, MET92E, PHE108B, PHE108E, PHE161B, PHE161E, PHE78B, PHE78E, PRO10B, PRO10E, PRO126B, PRO126E, PRO127B, PRO127E, PRO51B, PRO51E, PRO84B, PRO84E, SER119B, SER119E, SER81B, SER81E, THR124B, THR124E, THR46B, THR46E, TRP48B, TRP48E, TRP91B, TRP91E, TYR125B, TYR125E, TYR165B, TYR165E, TYR98B, TYR98E, VAL118B, VAL118E, VAL299B, VAL299E, VAL315B, VAL315E, VAL40B, VAL40E, VAL47B, VAL47E, VAL83B, VAL83E, VAL97B, VAL97E
• C-F: ALA117C, ALA117F, ALA120C, ALA120F, ALA304C, ALA304F, ALA321C, ALA321F, ALA44C, ALA44F, ALA62C, ALA62F, ALA85C, ALA85F, ALA87C, ALA87F, ALA89C, ALA89F, ALA90C, ALA90F, ARG160C, ARG160F, ARG164C, ARG164F, ARG298C, ARG298F, ARG316C, ARG316F, ARG326C, ARG326F, ARG55C, ARG55F, ARG59C, ARG59F, ASN57C, ASN57F, ASP297C, ASP297F, ASP301C, ASP301F, ASP41C, ASP41F, ASP50C, ASP50F, CYS95C, CYS95F, GLN320C, GLN320F, GLN42C, GLN42F, GLN49C, GLN49F, GLN56C, GLN56F, GLN80C, GLN80F, GLN88C, GLN88F, GLN94C, GLN94F, GLU101C, GLU101F, GLU103C, GLU103F, GLU110C, GLU110F, GLU116C, GLU116F, GLU294F, GLU295C, GLU295F, GLU302C, GLU302F, GLU305C, GLU305F, GLU319C, GLU319F, GLU53C, GLU53F, GLU82C, GLU82F, GLY100C, GLY100F, GLY121C, GLY121F, GLY303C, GLY303F, GLY323C, GLY323F, GLY325C, GLY325F, HIS43C, HIS43F, HIS52C, HIS52F, HIS86C, HIS86F, ILE39C, ILE39F, ILE45C, ILE45F, ILE58C, ILE58F, ILE79C, ILE79F, ILE96C, ILE96F, ILE99C, ILE99F, LEU102C, LEU102F, LEU122C, LEU122F, LEU123C, LEU123F, LEU128C, LEU128F, LEU296C, LEU296F, LEU300C, LEU300F, LEU324C, LEU324F, LEU54C, LEU54F, LEU77C, LEU77F, LEU93C, LEU93F, LYS111C, LYS111F, LYS115C, LYS115F, LYS317F, MET129C, MET129F, MET318C, MET318F, MET322C, MET322F, MET92C, MET92F, PHE108C, PHE108F, PHE161C, PHE161F, PHE78C, PHE78F, PRO10C, PRO10F, PRO126C, PRO126F, PRO127C, PRO127F, PRO51C, PRO51F, PRO84C, PRO84F, SER119C, SER119F, SER312F, SER81C, SER81F, THR124C, THR124F, THR46C, THR46F, TRP48C, TRP48F, TRP91C, TRP91F, TYR125C, TYR125F, TYR165C, TYR165F, TYR98C, TYR98F, VAL118C, VAL118F, VAL299C, VAL299F, VAL315C, VAL315F, VAL40C, VAL40F, VAL47C, VAL47F, VAL83C, VAL83F, VAL97C, VAL97F
• E-F: ARG281E, GLU278E, GLU292F, GLU294F, PRO282E