1WDW

structural basis of mutual activation of the tryptophan synthase a2b2 complex from a hyperthermophile, pyrococcus furiosus

• Total interactions analyzed: 66
• Total true interactions: 11
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 130
  • Norm. En. per Res.: -4.5068
• Hub Node: B(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-B	-64.9424	-110.2303	-410.71	-585.8828	130	33	12	17010	5	47	38
B-D	-14.8048	-89.4933	-407.1	-511.398	166	29	7	20321	4	46	60
B-E	0.0	0.0	-0.516	-0.516	5	0	0	43	0	6	6
C-D	-59.2638	-111.8941	-395.469	-566.6269	133	33	12	16789	5	46	40
D-E	-32.5025	-48.1614	-114.368	-195.032	62	17	0	5829	5	32	36
E-F	-55.8458	-110.6097	-404.981	-571.4365	129	22	12	16435	6	46	38
F-H	-27.1646	-86.0293	-395.916	-509.1099	166	24	7	20206	7	43	59
G-H	-43.6759	-95.6345	-360.372	-499.6825	128	31	12	15870	5	46	36
I-J	-59.6303	-103.2049	-403.307	-566.1422	133	29	12	16625	5	47	37
J-L	-14.2999	-84.6794	-360.02	-458.9993	164	29	7	19839	3	43	61
K-L	-44.1389	-112.6659	-367.424	-524.2289	127	26	9	15266	5	46	37

Interface residues

• A-B: ALA122A, ALA140A, ALA141A, ALA164B, ALA168B, ALA174B, ALA46A, ARG148A, ARG159B, ARG170B, ARG66A, ARG94A, ASN143A, ASN155B, ASN166B, ASN90A, ASP116A, ASP163B, ASP171B, ASP284B, ASP43A, ASP47A, GLN270B, GLN283B, GLN288B, GLN52A, GLN9B, GLU13B, GLU147A, GLU167B, GLU17B, GLU21B, GLU23B, GLU285B, GLU286B, GLU53A, GLU5B, GLU67A, GLY157B, GLY188B, GLY272B, GLY276B, GLY287B, GLY48A, GLY62A, GLY7B, GLY8B, HIS121A, HIS190B, HIS275B, HIS55A, ILE152A, ILE165B, ILE16B, ILE289B, ILE39A, ILE45A, ILE51A, ILE92A, LEU113A, LEU117A, LEU139A, LEU149A, LEU15B, LEU162A, LEU165A, LEU169B, LEU182A, LEU19B, LEU278B, LEU59A, LEU65A, LYS162B, LYS20B, LYS24B, LYS290B, LYS49A, LYS64A, MET1B, MET277B, PHE120A, PHE138A, PHE176B, PHE274B, PHE281B, PHE41A, PHE63A, PHE6B, PRO118A, PRO12B, PRO142A, PRO145A, PRO153B, PRO189B, PRO18B, PRO302B, PRO40A, PRO44A, PRO91A, SER156B, SER158B, SER164A, SER279B, SER42A, THR144A, THR14B, THR160B, THR175B, THR178A, THR50A, TRP172B, TRP2B, TYR10B, TYR128B, TYR161A, TYR166A, TYR56A, TYR88A, TYR89A, TYR93A, VAL114A, VAL115A, VAL119A, VAL11B, VAL154B, VAL160A, VAL163A, VAL173B, VAL271B, VAL273B
• B-D: ALA115B, ALA115D, ALA117B, ALA117D, ALA119B, ALA119D, ALA149B, ALA149D, ALA214B, ALA214D, ALA47B, ALA47D, ALA56B, ALA56D, ARG143B, ARG143D, ARG336B, ARG336D, ARG373B, ARG373D, ARG49B, ARG49D, ARG58B, ARG58D, ARG72B, ARG72D, ASN140B, ASN140D, ASP375B, ASP375D, ASP377B, ASP377D, ASP379B, ASP379D, ASP74B, ASP74D, GLN210B, GLN210D, GLN38B, GLN38D, GLU213B, GLU213D, GLU333B, GLU333D, GLU338B, GLU338D, GLY118B, GLY118D, GLY122B, GLY122D, GLY148B, GLY148D, GLY339B, GLY339D, GLY374B, GLY374D, GLY48B, GLY48D, GLY78B, GLY78D, GLY79B, GLY79D, HIS332B, HIS332D, HIS77B, HIS77D, ILE340B, ILE340D, ILE341B, ILE341D, ILE380B, ILE380D, LEU120B, LEU120D, LEU121B, LEU121D, LEU146B, LEU146D, LEU147B, LEU147D, LEU328B, LEU328D, LEU334B, LEU334D, LEU370B, LEU370D, LEU378B, LEU378D, LEU382B, LEU382D, LEU43B, LEU43D, LEU53B, LEU53D, LEU70B, LEU70D, LEU75B, LEU75D, LYS124B, LYS124D, LYS138B, LYS138D, LYS145B, LYS145D, LYS376B, LYS376D, LYS383B, LYS383D, LYS44B, LYS44D, LYS57B, LYS57D, LYS94B, LYS94D, MET116B, MET116D, MET123B, MET123D, MET139B, MET139D, MET144B, MET144D, PHE142B, PHE142D, PHE331B, PHE331D, PRO342B, PRO342D, PRO50B, PRO50D, PRO52B, PRO52D, SER335B, SER335D, SER385B, SER385D, THR337B, THR337D, THR45B, THR45D, THR51B, THR51D, THR83B, THR83D, TRP46B, TRP46D, TYR41B, TYR41D, TYR42B, TYR42D, TYR54B, TYR54D, TYR55B, TYR55D, TYR69B, TYR69D, VAL112B, VAL112D, VAL141B, VAL141D, VAL381B, VAL381D, VAL384B, VAL384D, VAL76B, VAL76D
• B-E: ARG172E, ARG203E, ARG37B, GLU204E, GLU33B
• C-D: ALA122C, ALA140C, ALA141C, ALA164D, ALA168D, ALA174D, ALA46C, ALA68C, ALA95C, ARG148C, ARG159D, ARG170D, ARG57C, ARG66C, ARG94C, ASN143C, ASN155D, ASN166D, ASN90C, ASP116C, ASP163D, ASP171D, ASP284D, ASP43C, ASP47C, GLN270D, GLN283D, GLN288D, GLN52C, GLN9D, GLU13D, GLU167D, GLU17D, GLU21D, GLU23D, GLU285D, GLU286D, GLU53C, GLU5D, GLU67C, GLY157D, GLY188D, GLY272D, GLY276D, GLY287D, GLY48C, GLY7D, GLY8D, HIS121C, HIS190D, HIS275D, HIS55C, ILE152C, ILE152D, ILE165D, ILE16D, ILE289D, ILE39C, ILE45C, ILE51C, ILE92C, LEU113C, LEU117C, LEU139C, LEU149C, LEU15D, LEU162C, LEU165C, LEU169D, LEU182C, LEU19D, LEU278D, LEU282D, LEU59C, LEU65C, LYS162D, LYS20D, LYS24D, LYS290D, LYS49C, LYS64C, MET1D, MET277D, PHE120C, PHE138C, PHE176D, PHE274D, PHE281D, PHE41C, PHE63C, PHE6D, PRO118C, PRO12D, PRO142C, PRO145C, PRO153D, PRO189D, PRO18D, PRO302D, PRO40C, PRO44C, PRO91C, SER156D, SER158D, SER164C, SER279D, SER42C, THR144C, THR14D, THR160D, THR175D, THR50C, THR87C, TRP172D, TRP2D, TYR10D, TYR128D, TYR161C, TYR166C, TYR301D, TYR56C, TYR88C, TYR89C, TYR93C, VAL114C, VAL115C, VAL119C, VAL11D, VAL154D, VAL163C, VAL173D, VAL271D, VAL273D
• D-E: ALA209D, ALA214D, ALA214E, ALA32E, ALA66D, ARG203E, ARG362D, ASN215E, ASP220D, ASP29E, ASP363D, ASP4E, GLN217D, GLU204E, GLU212E, GLU213D, GLU215D, GLU243E, GLU244E, GLU30E, GLU364D, GLU61D, GLY213E, GLY216D, GLY216E, GLY247E, GLY33E, GLY5E, GLY64D, GLY65D, ILE211D, ILE248E, ILE365D, ILE68D, LEU209E, LEU210E, LEU212D, LEU218D, LEU245E, LEU246E, LEU7E, LYS211E, LYS239E, LYS240E, LYS244D, LYS3E, LYS57D, LYS67D, MET360D, PRO219D, SER208E, SER361D, SER6E, THR60D, TYR31E, TYR55D, TYR69D, VAL206E, VAL207E, VAL221D, VAL242E, VAL245D
• E-F: ALA122E, ALA140E, ALA141E, ALA164F, ALA168F, ALA174F, ALA46E, ARG148E, ARG159F, ARG170F, ARG66E, ARG94E, ASN143E, ASN155F, ASN166F, ASN90E, ASP116E, ASP163F, ASP171F, ASP284F, ASP43E, ASP47E, GLN270F, GLN283F, GLN288F, GLN52E, GLN9F, GLU13F, GLU167F, GLU17F, GLU21F, GLU23F, GLU285F, GLU286F, GLU53E, GLU5F, GLU67E, GLY157F, GLY167E, GLY188F, GLY272F, GLY276F, GLY287F, GLY48E, GLY7F, GLY8F, HIS121E, HIS190F, HIS275F, HIS55E, ILE152E, ILE152F, ILE165F, ILE16F, ILE289F, ILE39E, ILE45E, ILE51E, ILE92E, LEU113E, LEU117E, LEU139E, LEU149E, LEU15F, LEU162E, LEU165E, LEU169F, LEU182E, LEU19F, LEU278F, LEU59E, LEU65E, LYS162F, LYS20F, LYS24F, LYS290F, LYS49E, LYS64E, MET1F, MET277F, PHE120E, PHE138E, PHE176F, PHE274F, PHE281F, PHE41E, PHE63E, PHE6F, PRO118E, PRO12F, PRO142E, PRO145E, PRO153F, PRO189F, PRO18F, PRO302F, PRO40E, PRO44E, PRO91E, SER156F, SER158F, SER164E, SER279F, SER42E, THR144E, THR14F, THR160F, THR175F, THR50E, TRP172F, TRP2F, TYR10F, TYR128F, TYR161E, TYR166E, TYR56E, TYR88E, TYR89E, TYR93E, VAL114E, VAL115E, VAL119E, VAL11F, VAL154F, VAL160E, VAL163E, VAL173F, VAL271F, VAL273F
• F-H: ALA115F, ALA115H, ALA117F, ALA117H, ALA119F, ALA119H, ALA149F, ALA149H, ALA214F, ALA214H, ALA47F, ALA47H, ALA56F, ALA56H, ARG143F, ARG143H, ARG336F, ARG336H, ARG373F, ARG373H, ARG49F, ARG49H, ARG58F, ARG58H, ARG72F, ARG72H, ASN140F, ASN140H, ASP375F, ASP375H, ASP377F, ASP377H, ASP379F, ASP379H, ASP74F, ASP74H, GLN210F, GLN210H, GLN38F, GLN38H, GLU213F, GLU213H, GLU333F, GLU333H, GLU338F, GLU338H, GLY118F, GLY118H, GLY122F, GLY122H, GLY148F, GLY148H, GLY339F, GLY339H, GLY374F, GLY374H, GLY48F, GLY48H, GLY78F, GLY78H, GLY79F, GLY79H, HIS332F, HIS332H, HIS77F, HIS77H, ILE340F, ILE340H, ILE341F, ILE341H, ILE380F, ILE380H, LEU120F, LEU120H, LEU121F, LEU121H, LEU146F, LEU146H, LEU147F, LEU147H, LEU328F, LEU328H, LEU334F, LEU334H, LEU370F, LEU370H, LEU378F, LEU378H, LEU382F, LEU382H, LEU43F, LEU43H, LEU53F, LEU53H, LEU70F, LEU70H, LEU75F, LEU75H, LYS124F, LYS124H, LYS138F, LYS138H, LYS145F, LYS145H, LYS376F, LYS376H, LYS383F, LYS383H, LYS44F, LYS44H, LYS57F, LYS57H, LYS94F, LYS94H, MET116F, MET116H, MET123F, MET123H, MET139F, MET139H, MET144F, MET144H, PHE142F, PHE142H, PHE331F, PHE331H, PRO342F, PRO342H, PRO50F, PRO50H, PRO52F, PRO52H, SER335F, SER335H, SER385F, SER385H, THR337F, THR337H, THR45F, THR45H, THR51F, THR51H, THR83F, THR83H, TRP46F, TRP46H, TYR41F, TYR41H, TYR42F, TYR42H, TYR54F, TYR54H, TYR55F, TYR55H, TYR69F, TYR69H, VAL112F, VAL112H, VAL125F, VAL141F, VAL381F, VAL381H, VAL384F, VAL384H, VAL76F, VAL76H
• G-H: ALA122G, ALA140G, ALA141G, ALA164H, ALA168H, ALA174H, ALA46G, ALA68G, ARG148G, ARG159H, ARG170H, ARG66G, ARG94G, ASN143G, ASN155H, ASN166H, ASN90G, ASP116G, ASP163H, ASP171H, ASP284H, ASP43G, ASP47G, GLN270H, GLN283H, GLN288H, GLN52G, GLN9H, GLU13H, GLU167H, GLU17H, GLU21H, GLU23H, GLU285H, GLU286H, GLU53G, GLU5H, GLU67G, GLY157H, GLY188H, GLY272H, GLY276H, GLY287H, GLY48G, GLY62G, GLY7H, GLY8H, HIS121G, HIS190H, HIS275H, HIS55G, ILE152G, ILE165H, ILE16H, ILE289H, ILE39G, ILE45G, ILE51G, ILE92G, LEU113G, LEU117G, LEU139G, LEU149G, LEU15H, LEU162G, LEU165G, LEU169H, LEU182G, LEU19H, LEU278H, LEU59G, LEU65G, LYS162H, LYS20H, LYS24H, LYS290H, LYS49G, LYS60G, LYS64G, MET1H, MET277H, PHE120G, PHE138G, PHE176H, PHE274H, PHE281H, PHE41G, PHE63G, PHE6H, PRO118G, PRO12H, PRO142G, PRO145G, PRO153H, PRO189H, PRO18H, PRO302H, PRO40G, PRO44G, PRO91G, SER156H, SER158H, SER164G, SER279H, SER42G, THR144G, THR14H, THR175H, THR50G, TRP172H, TRP2H, TYR10H, TYR128H, TYR161G, TYR166G, TYR56G, TYR88G, TYR89G, TYR93G, VAL114G, VAL115G, VAL119G, VAL11H, VAL154H, VAL163G, VAL173H, VAL271H, VAL273H
• I-J: ALA122I, ALA140I, ALA141I, ALA164J, ALA168J, ALA174J, ALA46I, ARG148I, ARG159J, ARG170J, ARG66I, ARG94I, ASN143I, ASN155J, ASN166J, ASN90I, ASP116I, ASP163J, ASP171J, ASP284J, ASP43I, ASP47I, GLN270J, GLN283J, GLN288J, GLN52I, GLN9J, GLU13J, GLU147I, GLU167J, GLU177J, GLU17J, GLU21J, GLU23J, GLU285J, GLU286J, GLU53I, GLU5J, GLU67I, GLY157J, GLY167I, GLY188J, GLY272J, GLY276J, GLY287J, GLY48I, GLY62I, GLY7J, GLY8J, HIS121I, HIS190J, HIS275J, HIS55I, ILE152I, ILE152J, ILE165J, ILE16J, ILE289J, ILE39I, ILE45I, ILE51I, ILE92I, LEU113I, LEU117I, LEU139I, LEU149I, LEU15J, LEU162I, LEU165I, LEU169J, LEU182I, LEU19J, LEU278J, LEU59I, LEU65I, LYS162J, LYS20J, LYS24J, LYS290J, LYS49I, LYS64I, MET1J, MET277J, PHE120I, PHE138I, PHE176J, PHE274J, PHE281J, PHE41I, PHE63I, PHE6J, PRO118I, PRO12J, PRO142I, PRO145I, PRO153J, PRO189J, PRO18J, PRO302J, PRO40I, PRO44I, PRO91I, SER156J, SER158J, SER164I, SER279J, SER42I, THR144I, THR14J, THR160J, THR175J, THR178I, THR50I, TRP172J, TRP2J, TYR10J, TYR128J, TYR161I, TYR166I, TYR56I, TYR88I, TYR89I, TYR93I, VAL114I, VAL115I, VAL119I, VAL11J, VAL154J, VAL160I, VAL163I, VAL173J, VAL271J, VAL273J
• J-L: ALA115J, ALA115L, ALA117J, ALA117L, ALA119J, ALA119L, ALA149J, ALA149L, ALA214J, ALA214L, ALA47J, ALA47L, ALA56J, ALA56L, ARG143J, ARG143L, ARG336J, ARG336L, ARG373J, ARG373L, ARG49J, ARG49L, ARG58J, ARG58L, ARG72J, ARG72L, ASN140J, ASN140L, ASP375J, ASP375L, ASP377J, ASP377L, ASP379J, ASP379L, ASP74J, ASP74L, GLN210J, GLN210L, GLN38J, GLU213J, GLU213L, GLU333J, GLU333L, GLU338J, GLU338L, GLY118J, GLY118L, GLY122J, GLY122L, GLY148J, GLY148L, GLY339J, GLY339L, GLY374J, GLY374L, GLY48J, GLY48L, GLY78J, GLY78L, GLY79J, GLY79L, HIS332J, HIS332L, HIS77J, HIS77L, ILE340J, ILE340L, ILE341J, ILE341L, ILE380J, ILE380L, LEU120J, LEU120L, LEU121J, LEU121L, LEU146J, LEU146L, LEU147J, LEU147L, LEU328J, LEU328L, LEU334J, LEU334L, LEU370J, LEU370L, LEU378J, LEU378L, LEU382J, LEU382L, LEU43J, LEU43L, LEU53J, LEU53L, LEU70J, LEU70L, LEU75J, LEU75L, LYS124J, LYS138J, LYS138L, LYS145J, LYS145L, LYS376J, LYS376L, LYS383J, LYS383L, LYS44J, LYS44L, LYS57J, LYS57L, LYS94J, LYS94L, MET116J, MET116L, MET123J, MET123L, MET139J, MET139L, MET144J, MET144L, PHE142J, PHE142L, PHE331J, PHE331L, PRO342J, PRO342L, PRO50J, PRO50L, PRO52J, PRO52L, SER335J, SER335L, SER385J, SER385L, THR337J, THR337L, THR45J, THR45L, THR51J, THR51L, THR83J, THR83L, TRP46J, TRP46L, TYR41J, TYR41L, TYR42J, TYR42L, TYR54J, TYR54L, TYR55J, TYR55L, TYR69J, TYR69L, VAL112J, VAL112L, VAL125J, VAL141J, VAL381J, VAL381L, VAL384J, VAL384L, VAL76J, VAL76L
• K-L: ALA122K, ALA140K, ALA141K, ALA164L, ALA168L, ALA174L, ALA46K, ARG148K, ARG159L, ARG170L, ARG66K, ARG94K, ASN143K, ASN155L, ASN166L, ASN90K, ASP116K, ASP163L, ASP171L, ASP284L, ASP43K, ASP47K, GLN270L, GLN283L, GLN288L, GLN52K, GLN9L, GLU13L, GLU167L, GLU17L, GLU21L, GLU23L, GLU285L, GLU286L, GLU53K, GLU5L, GLU67K, GLY157L, GLY188L, GLY272L, GLY276L, GLY287L, GLY48K, GLY62K, GLY7L, GLY8L, HIS121K, HIS190L, HIS275L, HIS55K, ILE152K, ILE165L, ILE16L, ILE289L, ILE39K, ILE45K, ILE51K, ILE92K, LEU113K, LEU117K, LEU139K, LEU149K, LEU15L, LEU162K, LEU169L, LEU182K, LEU19L, LEU278L, LEU282L, LEU59K, LEU65K, LYS162L, LYS20L, LYS24L, LYS290L, LYS313L, LYS49K, LYS60K, LYS64K, MET1L, MET277L, PHE120K, PHE138K, PHE176L, PHE274L, PHE281L, PHE41K, PHE63K, PHE6L, PRO118K, PRO12L, PRO142K, PRO145K, PRO153L, PRO189L, PRO18L, PRO302L, PRO40K, PRO44K, PRO91K, SER156L, SER158L, SER164K, SER279L, SER42K, THR144K, THR14L, THR50K, TRP172L, TRP2L, TYR10L, TYR128L, TYR161K, TYR56K, TYR88K, TYR89K, TYR93K, VAL114K, VAL115K, VAL119K, VAL11L, VAL154L, VAL160K, VAL163K, VAL173L, VAL271L, VAL273L