3GIT

crystal structure of a truncated acetyl-coa synthase

• Total interactions analyzed: 15
• Total true interactions: 12
• Strongest Interaction:
  • Chains: B-F
  • Int. Res.: 99
  • Norm. En. per Res.: -3.5261
• 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-C	-43.5426	-105.4169	-194.185	-343.1446	98	20	0	7908	6	24	8
A-D	-66.1496	-72.7384	-158.41	-297.298	103	7	2	6349	7	24	29
A-E	-8.696	17.269	-52.6119	-44.0389	45	1	0	2549	0	23	20
A-F	-11.8841	18.2791	-56.7149	-50.3199	46	1	0	2691	1	23	21
B-C	-12.5603	19.679	-64.4139	-57.2952	49	1	0	2956	1	24	23
B-D	-6.6203	18.2213	-55.8329	-44.2319	45	0	0	2645	0	23	21
B-E	-55.0098	-70.5208	-162.142	-287.6726	105	7	2	6488	6	24	28
B-F	-43.8363	-96.7142	-208.529	-349.0795	99	13	0	7869	6	20	6
C-D	-18.1807	18.9861	-60.9417	-60.1364	45	1	0	2772	0	25	21
C-F	-64.0184	-78.2785	-162.544	-304.8409	106	7	2	6466	6	24	26
D-E	-43.3592	-93.0681	-198.305	-334.7323	96	16	0	7748	6	23	6
E-F	-7.7667	20.6345	-59.3805	-46.5127	47	0	0	2712	0	23	23

Interface residues

• A-C: ARG730A, ARG730C, ARG735A, ARG735C, ASN609A, ASN609C, ASP709A, ASP709C, CYS608A, CYS608C, GLN640A, GLN640C, GLU589C, GLU607A, GLU607C, GLU710A, GLU710C, GLU716A, GLU716C, GLY625A, GLY625C, GLY633A, GLY633C, GLY636A, GLY636C, GLY637C, GLY638A, GLY638C, GLY643A, GLY643C, GLY736A, GLY736C, HIS732A, HIS732C, HIS737A, ILE604A, ILE604C, ILE635A, ILE635C, ILE711A, ILE711C, LEU605A, LEU605C, LEU631A, LEU631C, LEU712A, LEU712C, LEU715C, LEU723A, LEU723C, MET588A, MET588C, MET621A, MET621C, MET626A, MET626C, MET634A, MET634C, MET729A, MET729C, PHE644A, PHE644C, PRO591A, PRO591C, PRO606A, PRO606C, PRO623A, PRO623C, PRO642A, PRO642C, PRO713A, PRO713C, PRO727A, PRO727C, SER624A, SER624C, SER629A, SER734A, SER734C, THR622A, THR622C, THR627A, THR627C, THR630A, THR630C, THR639A, THR639C, THR641A, THR641C, THR706A, THR706C, THR707A, THR707C, THR724C, THR733A, THR733C, VAL708A, VAL708C
• A-D: ALA327A, ALA327D, ALA513A, ALA513D, ALA632A, ALA632D, ARG334A, ARG334D, ARG577A, ARG577D, ARG735A, ASN323A, ASN323D, ASN412A, ASN412D, ASN515A, ASN515D, ASN576A, ASN576D, ASN578A, ASN578D, ASP319A, ASP319D, ASP337A, ASP337D, ASP433A, ASP433D, CYS509A, CYS509D, CYS595A, CYS595D, GLN510A, GLN510D, GLU329A, GLU329D, GLU331A, GLU331D, GLU415A, GLU415D, GLU454A, GLU454D, GLY325A, GLY325D, GLY330A, GLY330D, GLY336A, GLY336D, GLY596A, GLY596D, GLY633A, GLY633D, GLY636A, GLY636D, GLY637A, GLY637D, GLY638A, GLY638D, ILE316A, ILE316D, ILE322A, ILE322D, ILE333A, ILE333D, LEU318A, LEU318D, LEU320A, LEU320D, LYS317A, LYS317D, LYS432A, LYS432D, LYS437A, LYS437D, LYS451A, LYS451D, MET634A, MET634D, PHE324A, PHE324D, PHE328A, PHE328D, PHE512A, PHE512D, PRO321A, PRO321D, PRO326A, PRO326D, PRO514A, PRO514D, SER332A, SER332D, SER431A, SER431D, SER511A, SER511D, SER629A, SER629D, THR630A, THR630D, THR639A, THR639D, TYR413A, TYR413D
• A-E: ALA434A, ALA436A, ALA619E, ARG440A, ASN443A, ASP319A, ASP372A, ASP374A, ASP433A, ASP701E, ASP709E, GLN375A, GLU378A, GLU446A, GLU702E, GLU710E, GLY438A, GLY620E, GLY705E, HIS618E, ILE322A, ILE373A, ILE704E, ILE711E, LEU318A, LEU320A, LYS317A, LYS335E, LYS381E, LYS432A, LYS437A, LYS442A, LYS672E, MET621E, PHE439A, PRO321A, PRO377A, PRO713E, THR622E, THR627E, THR703E, THR706E, THR707E, TYR339A, VAL435A
• A-F: ALA434F, ALA436F, ALA619A, ARG440F, ASN443F, ASP319F, ASP372F, ASP374F, ASP433F, ASP701A, ASP709A, GLN375F, GLU378F, GLU446F, GLU702A, GLU710A, GLY438F, GLY620A, GLY705A, HIS618A, ILE322F, ILE373F, ILE704A, ILE711A, LEU318F, LEU320F, LYS317F, LYS335A, LYS381A, LYS432F, LYS437F, LYS442F, LYS672A, MET621A, PHE439F, PRO321F, PRO377F, PRO713A, SER673A, THR622A, THR627A, THR703A, THR706A, THR707A, TYR339F, VAL435F
• B-C: ALA434C, ALA436C, ALA619B, ARG440C, ASN443C, ASP319C, ASP372C, ASP374C, ASP433C, ASP701B, ASP709B, GLN375C, GLU378C, GLU446C, GLU702B, GLU710B, GLY438C, GLY620B, GLY705B, HIS618B, ILE322C, ILE373C, ILE376C, ILE704B, ILE711B, LEU318C, LEU320C, LYS317C, LYS335B, LYS381B, LYS432C, LYS437C, LYS442C, LYS672B, MET621B, PHE439C, PRO321C, PRO377C, PRO713B, SER673B, THR622B, THR627B, THR703B, THR706B, THR707B, TYR339C, TYR714B, VAL435C, VAL708B
• B-D: ALA434B, ALA436B, ALA619D, ARG440B, ASN443B, ASP319B, ASP372B, ASP374B, ASP433B, ASP701D, ASP709D, GLN375B, GLU378B, GLU446B, GLU702D, GLU710D, GLY438B, GLY620D, GLY705D, HIS618D, ILE322B, ILE373B, ILE704D, ILE711D, LEU318B, LEU320B, LYS317B, LYS335D, LYS381D, LYS437B, LYS442B, LYS672D, MET621D, PHE439B, PRO321B, PRO377B, PRO713D, SER673D, THR622D, THR627D, THR703D, THR706D, THR707D, TYR339B, VAL435B
• B-E: ALA327B, ALA327E, ALA513B, ALA513E, ALA632B, ALA632E, ARG334B, ARG334E, ARG577B, ARG577E, ARG735B, ARG735E, ASN323B, ASN323E, ASN412B, ASN412E, ASN515B, ASN515E, ASN576B, ASN576E, ASN578B, ASN578E, ASP319B, ASP319E, ASP337B, ASP337E, ASP433B, ASP433E, CYS509B, CYS509E, CYS595B, CYS595E, GLN510B, GLN510E, GLU329B, GLU329E, GLU331B, GLU331E, GLU415B, GLU415E, GLU454B, GLU454E, GLY325B, GLY325E, GLY330B, GLY330E, GLY336B, GLY336E, GLY596B, GLY596E, GLY633B, GLY633E, GLY636B, GLY636E, GLY637B, GLY637E, GLY638B, GLY638E, ILE316B, ILE316E, ILE322B, ILE322E, ILE333B, ILE333E, LEU318B, LEU318E, LEU320B, LEU320E, LYS317B, LYS317E, LYS432B, LYS432E, LYS437B, LYS437E, LYS451B, LYS451E, MET634B, MET634E, PHE324B, PHE324E, PHE328B, PHE328E, PHE512B, PHE512E, PHE598E, PRO321B, PRO321E, PRO326B, PRO326E, PRO514B, PRO514E, SER332B, SER332E, SER431B, SER431E, SER511B, SER511E, SER629B, SER629E, THR630B, THR630E, THR639B, THR639E, TYR413B, TYR413E
• B-F: ARG730B, ARG730F, ARG735B, ARG735F, ASN590F, ASN609B, ASN609F, ASP709B, ASP709F, CYS608B, CYS608F, GLN640B, GLN640F, GLU589B, GLU589F, GLU607B, GLU607F, GLU710B, GLU710F, GLU716B, GLU716F, GLY625B, GLY625F, GLY633B, GLY633F, GLY636B, GLY636F, GLY637B, GLY637F, GLY638F, GLY643B, GLY643F, GLY736B, GLY736F, HIS732B, HIS732F, ILE604B, ILE604F, ILE635B, ILE635F, ILE711B, ILE711F, LEU605B, LEU605F, LEU631B, LEU631F, LEU712B, LEU712F, LEU723B, LEU723F, MET588B, MET588F, MET621B, MET621F, MET626B, MET626F, MET634B, MET634F, MET729B, MET729F, PHE644B, PHE644F, PRO591B, PRO591F, PRO606B, PRO606F, PRO623B, PRO623F, PRO642B, PRO642F, PRO713B, PRO713F, PRO727B, PRO727F, SER624B, SER624F, SER629F, SER731B, SER731F, SER734B, SER734F, THR622B, THR622F, THR627B, THR627F, THR630B, THR630F, THR639B, THR639F, THR641B, THR641F, THR706B, THR706F, THR707B, THR707F, THR733B, THR733F, VAL708B, VAL708F
• C-D: ALA434D, ALA436D, ALA619C, ARG440D, ASN443D, ASP319D, ASP372D, ASP374D, ASP701C, ASP709C, GLN375D, GLU378D, GLU446D, GLU702C, GLU710C, GLY438D, GLY620C, GLY705C, HIS618C, ILE322D, ILE373D, ILE704C, ILE711C, LEU318D, LEU320D, LYS317D, LYS335C, LYS381C, LYS432D, LYS437D, LYS442D, LYS672C, MET621C, PHE439D, PRO321D, PRO377D, PRO713C, THR622C, THR627C, THR703C, THR706C, THR707C, TYR339D, TYR714C, VAL435D
• C-F: ALA327C, ALA327F, ALA513C, ALA513F, ALA632C, ALA632F, ARG334C, ARG334F, ARG577C, ARG577F, ARG735C, ARG735F, ASN323C, ASN323F, ASN412C, ASN412F, ASN515C, ASN515F, ASN576C, ASN576F, ASN578C, ASN578F, ASP319C, ASP319F, ASP337C, ASP337F, ASP433C, ASP433F, CYS509C, CYS509F, CYS595C, CYS595F, GLN510C, GLN510F, GLU329C, GLU329F, GLU331C, GLU331F, GLU415C, GLU415F, GLU454C, GLU454F, GLY325C, GLY325F, GLY330C, GLY330F, GLY336C, GLY336F, GLY596C, GLY596F, GLY633C, GLY633F, GLY636C, GLY636F, GLY637C, GLY637F, GLY638C, GLY638F, ILE316C, ILE316F, ILE322C, ILE322F, ILE333C, ILE333F, LEU318C, LEU318F, LEU320C, LEU320F, LYS317C, LYS317F, LYS432C, LYS432F, LYS437C, LYS437F, LYS451C, LYS451F, MET634C, MET634F, PHE324C, PHE324F, PHE328C, PHE328F, PHE512C, PHE512F, PHE598C, PHE598F, PRO321C, PRO321F, PRO326C, PRO326F, PRO514C, PRO514F, SER332C, SER332F, SER431C, SER431F, SER511C, SER511F, SER629C, SER629F, THR630C, THR630F, THR639C, THR639F, TYR413C, TYR413F
• D-E: ARG730D, ARG730E, ARG735D, ARG735E, ASN609D, ASN609E, ASP709D, ASP709E, CYS608D, CYS608E, GLN640D, GLN640E, GLU589E, GLU607D, GLU607E, GLU710D, GLU710E, GLU716D, GLU716E, GLY625D, GLY625E, GLY633D, GLY633E, GLY636D, GLY636E, GLY637D, GLY637E, GLY638D, GLY638E, GLY643D, GLY643E, GLY736D, GLY736E, HIS732D, HIS732E, HIS737D, ILE604D, ILE604E, ILE635D, ILE635E, ILE711D, ILE711E, LEU605D, LEU605E, LEU631D, LEU631E, LEU712D, LEU712E, LEU723D, LEU723E, MET588D, MET588E, MET621D, MET621E, MET626D, MET626E, MET634D, MET634E, MET729D, MET729E, PHE644D, PHE644E, PRO591D, PRO591E, PRO606D, PRO606E, PRO623D, PRO623E, PRO642D, PRO642E, PRO713D, PRO713E, PRO727D, PRO727E, SER624D, SER624E, SER734D, SER734E, THR622D, THR622E, THR627D, THR627E, THR630D, THR630E, THR639D, THR639E, THR641D, THR641E, THR706D, THR706E, THR707D, THR707E, THR733D, THR733E, VAL708D, VAL708E
• E-F: ALA434E, ALA436E, ALA619F, ARG440E, ASN443E, ASP319E, ASP372E, ASP374E, ASP433E, ASP701F, ASP709F, GLN375E, GLU378E, GLU446E, GLU702F, GLU710F, GLY438E, GLY620F, GLY705F, HIS618F, ILE322E, ILE373E, ILE704F, ILE711F, LEU318E, LEU320E, LYS317E, LYS335F, LYS381F, LYS432E, LYS437E, LYS442E, LYS672F, MET621F, PHE439E, PRO321E, PRO377E, PRO713F, SER673F, THR622F, THR627F, THR703F, THR706F, THR707F, TYR339E, VAL435E, VAL708F