3O6X

crystal structure of the type iii glutamine synthetase from bacteroides fragilis

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: D-E
  • Int. Res.: 221
  • Norm. En. per Res.: -3.063
• 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	-84.1838	-65.4324	-525.292	-674.9082	222	38	8	22867	7	100	103
A-C	0.0	0.0	-0.0183	-0.0183	4	0	0	15	0	1	1
A-E	0.0	0.0	-0.0087	-0.0087	5	0	0	10	0	1	1
A-F	-88.7976	-72.3763	-504.65	-665.8239	229	47	8	22633	8	97	103
B-C	-75.2248	-73.7583	-487.33	-636.3131	216	33	7	22034	9	96	100
B-D	0.0	0.0	-0.0189	-0.0189	4	0	0	14	0	2	1
B-F	0.0	0.0	-0.0136	-0.0136	5	0	0	13	0	2	1
C-D	-82.057	-76.281	-496.792	-655.13	220	33	7	22081	9	99	101
C-E	0.0	0.0	-0.0185	-0.0185	4	0	0	14	0	2	1
D-E	-85.6015	-75.3704	-515.96	-676.9318	221	43	7	22617	9	97	103
D-F	0.0	0.0	-0.018	-0.018	5	0	0	15	0	2	1
E-F	-78.9351	-74.3817	-498.232	-651.5488	219	40	6	22158	9	95	100

Interface residues

• A-B: ALA228B, ALA295A, ALA32A, ALA619B, ALA647A, ALA662B, ALA79B, ALA8A, ALA8B, ARG117B, ARG15A, ARG15B, ARG229B, ARG233B, ARG261A, ARG283A, ARG317B, ARG320B, ARG38A, ARG460A, ARG5A, ARG5B, ARG605B, ARG625A, ARG625B, ARG632A, ARG632B, ARG649A, ARG649B, ARG668B, ARG674B, ARG723A, ASN14A, ASN227B, ASN25A, ASN285A, ASN290A, ASN300A, ASN613B, ASN624A, ASN624B, ASN629A, ASN629B, ASN83B, ASP103B, ASP111B, ASP160B, ASP222B, ASP231B, ASP29A, ASP37A, ASP609B, ASP648A, ASP713A, ASP714A, CYS631A, CYS631B, GLN10A, GLN10B, GLN623B, GLU107B, GLU113B, GLU116B, GLU11A, GLU11B, GLU270A, GLU293A, GLU299A, GLU628A, GLU628B, GLU635A, GLU635B, GLU641A, GLU651A, GLU651B, GLU655B, GLU709A, GLU711A, GLU715A, GLU724A, GLY104B, GLY112B, GLY277A, GLY608B, HIS102B, HIS242A, HIS274A, HIS284A, HIS307A, HIS323B, HIS614B, HIS658B, HIS707A, HIS86B, ILE106B, ILE115B, ILE20A, ILE258A, ILE271A, ILE278A, ILE297A, ILE318B, ILE612B, ILE615B, ILE618B, ILE636A, ILE653A, ILE653B, ILE656B, ILE712A, ILE716A, ILE716B, LEU122B, LEU12A, LEU12B, LEU234B, LEU27A, LEU294A, LEU303A, LEU610B, LEU626A, LEU626B, LEU627A, LEU627B, LEU630A, LEU630B, LEU652A, LEU652B, LEU708A, LEU719B, LEU726A, LEU82B, LEU9A, LYS101B, LYS16A, LYS267A, LYS26A, LYS281A, LYS316B, LYS321B, LYS39A, LYS3B, LYS634A, LYS634B, LYS650A, LYS650B, LYS654B, LYS664B, LYS721A, LYS80B, MET266A, MET4B, MET633A, MET633B, MET645A, MET710A, PHE105B, PHE108B, PHE118B, PHE298A, PHE637A, PHE6A, PHE6B, PHE727A, PHE7A, PHE7B, PRO17A, PRO230B, PRO23A, PRO259A, PRO260A, PRO279A, PRO289A, PRO296A, PRO617B, PRO718B, SER119B, SER13A, SER224B, SER243A, SER24A, SER28A, SER621B, SER638A, SER646A, SER646B, SER657B, SER661B, SER77B, SER81B, THR161B, THR162B, THR21A, THR223B, THR22A, THR263A, THR282A, THR671B, THR728A, THR85B, THR88B, TRP717A, TRP717B, TYR226B, TYR30A, TYR31A, TYR622A, TYR622B, TYR642A, TYR642B, TYR722A, TYR87B, VAL114B, VAL262A, VAL280A, VAL606B, VAL616B, VAL620B, VAL644A, VAL660B, VAL665B, VAL84B
• A-C: ARG632A, ARG632C, ASN624C, GLU628C
• A-E: ARG632A, ARG632E, ASN624A, CYS631A, GLU628A
• A-F: 7305CB5.8209, 9305CB8.7821, ALA228A, ALA295F, ALA32F, ALA611A, ALA619A, ALA647F, ALA662A, ALA79A, ALA8A, ALA8F, ARG117A, ARG15A, ARG15F, ARG229A, ARG233A, ARG261F, ARG283F, ARG317A, ARG320A, ARG38F, ARG5A, ARG5F, ARG605A, ARG625A, ARG625F, ARG632A, ARG632F, ARG649A, ARG649F, ARG668A, ARG674A, ARG723F, ASN14F, ASN227A, ASN25F, ASN285F, ASN290F, ASN300F, ASN613A, ASN624A, ASN624F, ASN629A, ASN629F, ASN83A, ASP103A, ASP160A, ASP222A, ASP231A, ASP29F, ASP37F, ASP609A, ASP648F, ASP713F, ASP714F, CYS631A, CYS631F, GLN10A, GLN10F, GLN623A, GLU107A, GLU113A, GLU116A, GLU11A, GLU11F, GLU270F, GLU293F, GLU299F, GLU628A, GLU628F, GLU635A, GLU635F, GLU641F, GLU651A, GLU651F, GLU655A, GLU709F, GLU711F, GLU715F, GLU724F, GLY104A, GLY112A, GLY277F, GLY608A, HIS102A, HIS242F, HIS274F, HIS284F, HIS307F, HIS323A, HIS614A, HIS658A, HIS707F, HIS86A, ILE106A, ILE115A, ILE20F, ILE258F, ILE271F, ILE278F, ILE297F, ILE318A, ILE612A, ILE615A, ILE618A, ILE636F, ILE653A, ILE653F, ILE656A, ILE712F, ILE716A, ILE716F, LEU122A, LEU12A, LEU12F, LEU234A, LEU27F, LEU294F, LEU303F, LEU610A, LEU626A, LEU626F, LEU627A, LEU627F, LEU630A, LEU630F, LEU652A, LEU652F, LEU708F, LEU719A, LEU726F, LEU82A, LEU9F, LYS101A, LYS121A, LYS16F, LYS267F, LYS26F, LYS281F, LYS316A, LYS321A, LYS39F, LYS3A, LYS3A5, LYS3F, LYS40F, LYS634A, LYS634F, LYS650A, LYS650F, LYS654A, LYS664A, LYS721F, LYS76A, LYS80A, MET266F, MET4A, MET633A, MET633F, MET645F, MET710F, PHE105A, PHE108A, PHE118A, PHE298F, PHE637F, PHE6A, PHE6F, PHE727F, PHE7A, PHE7F, PRO17F, PRO230A, PRO23F, PRO259F, PRO260F, PRO279F, PRO289F, PRO296F, PRO617A, PRO718A, SER119A, SER13F, SER224A, SER243F, SER24F, SER28F, SER621A, SER638F, SER646A, SER646F, SER657A, SER661A, SER77A, SER81A, THR161A, THR162A, THR21F, THR223A, THR22F, THR263F, THR282F, THR671A, THR728F, THR85A, THR88A, TRP717A, TRP717F, TRP78A, TYR226A, TYR30F, TYR31F, TYR622A, TYR622F, TYR642A, TYR722F, TYR87A, VAL114A, VAL159A, VAL280F, VAL606A, VAL616A, VAL620A, VAL644F, VAL660A, VAL665A, VAL667A, VAL84A
• B-C: ALA228C, ALA295B, ALA32B, ALA619C, ALA647B, ALA662C, ALA79C, ALA8B, ALA8C, ARG117C, ARG15B, ARG15C, ARG229C, ARG233C, ARG261B, ARG283B, ARG317C, ARG320C, ARG460B, ARG5B, ARG5C, ARG605C, ARG625B, ARG625C, ARG632B, ARG632C, ARG649B, ARG649C, ARG668C, ARG723B, ASN14B, ASN227C, ASN25B, ASN285B, ASN290B, ASN300B, ASN613C, ASN624B, ASN624C, ASN629B, ASN629C, ASN83C, ASP103C, ASP160C, ASP222C, ASP231C, ASP29B, ASP609C, ASP648B, ASP713B, ASP714B, CYS631B, CYS631C, GLN10B, GLN623C, GLU107C, GLU113C, GLU116C, GLU11B, GLU11C, GLU270B, GLU293B, GLU299B, GLU628B, GLU628C, GLU635B, GLU635C, GLU641B, GLU651B, GLU651C, GLU655C, GLU709B, GLU711B, GLU715B, GLU724B, GLY104C, GLY112C, GLY277B, GLY608C, HIS102C, HIS242B, HIS274B, HIS284B, HIS307B, HIS323C, HIS614C, HIS658C, HIS707B, HIS86C, ILE106C, ILE115C, ILE20B, ILE258B, ILE271B, ILE278B, ILE297B, ILE318C, ILE612C, ILE615C, ILE618C, ILE636B, ILE653B, ILE653C, ILE656C, ILE712B, ILE716B, ILE716C, LEU122C, LEU12B, LEU234C, LEU27B, LEU294B, LEU303B, LEU610C, LEU626B, LEU626C, LEU627B, LEU627C, LEU630B, LEU630C, LEU652B, LEU652C, LEU708B, LEU719C, LEU726B, LEU82C, LEU9B, LYS101C, LYS16B, LYS267B, LYS26B, LYS281B, LYS316C, LYS321C, LYS39B, LYS3B, LYS3C, LYS634B, LYS634C, LYS650B, LYS650C, LYS654C, LYS664C, LYS721B, LYS76C, LYS80C, MET266B, MET4C, MET633B, MET633C, MET645B, MET710B, PHE105C, PHE108C, PHE118C, PHE298B, PHE637B, PHE6B, PHE6C, PHE727B, PHE7B, PHE7C, PRO17B, PRO230C, PRO23B, PRO259B, PRO260B, PRO279B, PRO289B, PRO296B, PRO617C, PRO718C, SER119C, SER13B, SER224C, SER243B, SER24B, SER28B, SER621C, SER638B, SER646B, SER646C, SER657C, SER661C, SER77C, SER81C, THR161C, THR162C, THR21B, THR223C, THR22B, THR263B, THR282B, THR671C, THR728B, THR85C, THR88C, TRP717B, TRP717C, TYR226C, TYR30B, TYR31B, TYR622B, TYR622C, TYR642C, TYR87C, VAL114C, VAL159C, VAL280B, VAL606C, VAL616C, VAL620C, VAL644B, VAL660C, VAL665C, VAL84C
• B-D: ARG632B, ARG632D, ASN624D, GLU628D
• B-F: ARG632B, ARG632F, ASN624B, CYS631B, GLU628B
• C-D: ALA228D, ALA295C, ALA32C, ALA619D, ALA647C, ALA662D, ALA79D, ALA8C, ALA8D, ARG117D, ARG15C, ARG15D, ARG229D, ARG233D, ARG261C, ARG283C, ARG317D, ARG320D, ARG38C, ARG460C, ARG5C, ARG5D, ARG605D, ARG625C, ARG625D, ARG632C, ARG632D, ARG649C, ARG649D, ARG668D, ARG723C, ASN14C, ASN227D, ASN25C, ASN285C, ASN290C, ASN300C, ASN613D, ASN624C, ASN624D, ASN629C, ASN629D, ASN83D, ASP103D, ASP160D, ASP222D, ASP231D, ASP29C, ASP37C, ASP609D, ASP648C, ASP713C, ASP714C, CYS631C, CYS631D, GLN10C, GLN623D, GLU107D, GLU113D, GLU116D, GLU11C, GLU11D, GLU270C, GLU293C, GLU299C, GLU628C, GLU628D, GLU635C, GLU635D, GLU641C, GLU651C, GLU651D, GLU655D, GLU709C, GLU711C, GLU715C, GLU724C, GLY104D, GLY112D, GLY277C, GLY608D, HIS102D, HIS242C, HIS274C, HIS284C, HIS307C, HIS323D, HIS614D, HIS658D, HIS707C, HIS86D, ILE106D, ILE115D, ILE20C, ILE258C, ILE271C, ILE278C, ILE297C, ILE318D, ILE612D, ILE615D, ILE618D, ILE636C, ILE653C, ILE653D, ILE656D, ILE712C, ILE716C, ILE716D, LEU122D, LEU12C, LEU234D, LEU27C, LEU294C, LEU303C, LEU610D, LEU626C, LEU626D, LEU627C, LEU627D, LEU630C, LEU630D, LEU652C, LEU652D, LEU708C, LEU719D, LEU726C, LEU82D, LEU9C, LYS101D, LYS16C, LYS267C, LYS26C, LYS281C, LYS316D, LYS321D, LYS39C, LYS3C, LYS3D, LYS634C, LYS634D, LYS650C, LYS650D, LYS654D, LYS664D, LYS721C, LYS76D, LYS80D, MET266C, MET4D, MET633C, MET633D, MET645C, MET710C, PHE105D, PHE108D, PHE118D, PHE298C, PHE637C, PHE6C, PHE6D, PHE727C, PHE7C, PHE7D, PRO17C, PRO230D, PRO23C, PRO259C, PRO260C, PRO279C, PRO289C, PRO296C, PRO617D, PRO718D, SER119D, SER13C, SER224D, SER243C, SER24C, SER28C, SER33C, SER621D, SER638C, SER646C, SER646D, SER657D, SER661D, SER77D, SER81D, THR161D, THR162D, THR21C, THR223D, THR22C, THR263C, THR282C, THR671D, THR728C, THR85D, THR88D, TRP717C, TRP717D, TRP78D, TYR226D, TYR30C, TYR31C, TYR622C, TYR622D, TYR642D, TYR87D, VAL114D, VAL159D, VAL280C, VAL606D, VAL616D, VAL620D, VAL644C, VAL660D, VAL665D, VAL84D
• C-E: ARG632C, ARG632E, ASN624E, GLU628E
• D-E: ALA228E, ALA295D, ALA32D, ALA619E, ALA647D, ALA662E, ALA79E, ALA8D, ALA8E, ARG117E, ARG15D, ARG15E, ARG229E, ARG233E, ARG261D, ARG283D, ARG317E, ARG320E, ARG38D, ARG460D, ARG5D, ARG5E, ARG605E, ARG625D, ARG625E, ARG632D, ARG632E, ARG649D, ARG649E, ARG668E, ARG723D, ASN14D, ASN227E, ASN25D, ASN285D, ASN290D, ASN300D, ASN613E, ASN624D, ASN624E, ASN629D, ASN629E, ASN83E, ASP103E, ASP160E, ASP222E, ASP231E, ASP29D, ASP37D, ASP609E, ASP648D, ASP713D, ASP714D, CYS631D, CYS631E, GLN10D, GLN623E, GLU107E, GLU113E, GLU116E, GLU11D, GLU11E, GLU270D, GLU293D, GLU299D, GLU628D, GLU628E, GLU635D, GLU635E, GLU641D, GLU651D, GLU651E, GLU655E, GLU709D, GLU711D, GLU715D, GLU724D, GLY104E, GLY112E, GLY277D, GLY608E, HIS102E, HIS242D, HIS274D, HIS284D, HIS307D, HIS323E, HIS614E, HIS658E, HIS707D, HIS86E, ILE106E, ILE115E, ILE20D, ILE258D, ILE271D, ILE278D, ILE297D, ILE318E, ILE612E, ILE615E, ILE618E, ILE636D, ILE653D, ILE653E, ILE656E, ILE712D, ILE716D, ILE716E, LEU122E, LEU12D, LEU12E, LEU234E, LEU27D, LEU294D, LEU303D, LEU610E, LEU626D, LEU626E, LEU627D, LEU627E, LEU630D, LEU630E, LEU652D, LEU652E, LEU708D, LEU719E, LEU726D, LEU82E, LEU9D, LYS101E, LYS16D, LYS267D, LYS26D, LYS281D, LYS316E, LYS321E, LYS39D, LYS3D, LYS3E, LYS634D, LYS634E, LYS650D, LYS650E, LYS654E, LYS664E, LYS721D, LYS76E, LYS80E, MET266D, MET4E, MET633D, MET633E, MET645D, MET710D, PHE105E, PHE108E, PHE118E, PHE298D, PHE637D, PHE6D, PHE6E, PHE727D, PHE7D, PHE7E, PRO17D, PRO230E, PRO23D, PRO259D, PRO260D, PRO279D, PRO289D, PRO296D, PRO617E, PRO718E, SER119E, SER13D, SER224E, SER243D, SER24D, SER28D, SER621E, SER638D, SER646D, SER646E, SER657E, SER661E, SER77E, SER81E, THR161E, THR162E, THR21D, THR223E, THR22D, THR263D, THR282D, THR671E, THR728D, THR85E, THR88E, TRP717D, TRP717E, TRP78E, TYR226E, TYR30D, TYR31D, TYR622D, TYR622E, TYR642E, TYR722D, TYR87E, VAL114E, VAL159E, VAL280D, VAL606E, VAL616E, VAL620E, VAL644D, VAL660E, VAL665E, VAL84E
• D-F: ARG632D, ARG632F, ASN624F, CYS631F, GLU628F
• E-F: ALA228F, ALA295E, ALA32E, ALA619F, ALA647E, ALA662F, ALA79F, ALA8E, ALA8F, ARG117F, ARG15E, ARG15F, ARG229F, ARG233F, ARG261E, ARG283E, ARG317F, ARG320F, ARG38E, ARG460E, ARG5E, ARG5F, ARG605F, ARG625E, ARG625F, ARG632E, ARG632F, ARG649E, ARG649F, ARG668F, ARG723E, ASN14E, ASN227F, ASN25E, ASN285E, ASN290E, ASN300E, ASN613F, ASN624E, ASN624F, ASN629E, ASN629F, ASN83F, ASP103F, ASP160F, ASP222F, ASP231F, ASP29E, ASP37E, ASP609F, ASP648E, ASP713E, ASP714E, CYS631E, CYS631F, GLN10E, GLN623F, GLU107F, GLU113F, GLU116F, GLU11E, GLU11F, GLU270E, GLU293E, GLU299E, GLU628E, GLU628F, GLU635E, GLU635F, GLU641E, GLU651E, GLU651F, GLU655F, GLU709E, GLU711E, GLU715E, GLU724E, GLY104F, GLY112F, GLY277E, GLY608F, HIS102F, HIS242E, HIS274E, HIS284E, HIS307E, HIS323F, HIS614F, HIS658F, HIS707E, HIS86F, ILE106F, ILE115F, ILE20E, ILE258E, ILE271E, ILE278E, ILE297E, ILE318F, ILE612F, ILE615F, ILE618F, ILE636E, ILE653E, ILE653F, ILE656F, ILE712E, ILE716E, ILE716F, LEU122F, LEU12E, LEU12F, LEU234F, LEU27E, LEU294E, LEU303E, LEU610F, LEU626E, LEU626F, LEU627E, LEU627F, LEU630E, LEU630F, LEU652E, LEU652F, LEU708E, LEU719F, LEU726E, LEU82F, LEU9E, LYS101F, LYS16E, LYS267E, LYS26E, LYS281E, LYS316F, LYS321F, LYS39E, LYS3E, LYS3F, LYS634E, LYS634F, LYS650E, LYS650F, LYS654F, LYS664F, LYS721E, LYS80F, MET266E, MET4F, MET633E, MET633F, MET645E, MET710E, PHE105F, PHE108F, PHE118F, PHE298E, PHE637E, PHE6E, PHE6F, PHE727E, PHE7E, PHE7F, PRO17E, PRO230F, PRO23E, PRO259E, PRO260E, PRO279E, PRO289E, PRO296E, PRO617F, PRO718F, SER119F, SER13E, SER224F, SER243E, SER24E, SER28E, SER621F, SER638E, SER646E, SER646F, SER657F, SER661F, SER77F, SER81F, THR161F, THR162F, THR21E, THR223F, THR22E, THR263E, THR282E, THR671F, THR728E, THR85F, THR88F, TRP717E, TRP717F, TRP78F, TYR226F, TYR30E, TYR31E, TYR622E, TYR622F, TYR642F, TYR87F, VAL114F, VAL159F, VAL280E, VAL606F, VAL616F, VAL620F, VAL644E, VAL660F, VAL665F, VAL84F