1VL2

crystal structure of argininosuccinate synthase (tm1780) from thermotoga maritima at 1.65 a resolution

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 353
  • Norm. En. per Res.: -4.2115
• Hub Node: A(3)

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	-169.2646	-264.4029	-1053.0	-1486.6676	353	26	26	42538	24	142	127
A-C	0.0	54.9728	-243.313	-188.3402	114	2	18	11113	2	38	47
A-D	-31.3241	-109.2145	-266.934	-407.4727	110	8	10	10125	4	52	38
B-C	-32.411	-120.8337	-266.885	-420.1297	111	5	10	10521	4	48	38
B-D	0.0	59.0216	-253.302	-194.2804	119	4	20	11588	1	38	48
C-D	-156.9179	-215.8951	-1019.1	-1391.9129	347	29	27	41873	20	137	125

Interface residues

• A-B: ALA116A, ALA131A, ALA131B, ALA132A, ALA132B, ALA197A, ALA197B, ALA214A, ALA214B, ALA291A, ALA291B, ALA312A, ALA312B, ALA316A, ALA316B, ALA360A, ALA360B, ALA383A, ALA383B, ALA394A, ALA394B, ARG125A, ARG125B, ARG263A, ARG263B, ARG270A, ARG270B, ARG277A, ARG277B, ARG293A, ARG293B, ARG308A, ARG308B, ARG361A, ARG361B, ARG396A, ARG396B, ARG84A, ARG84B, ASN121A, ASN121B, ASN134A, ASN134B, ASN136A, ASN136B, ASN259A, ASN259B, ASN269A, ASN269B, ASN321A, ASN321B, ASN355A, ASN355B, ASN369A, ASN369B, ASN391A, ASN391B, ASN78A, ASN78B, ASP122A, ASP122B, ASP145A, ASP145B, ASP195A, ASP195B, ASP213A, ASP213B, ASP216A, ASP216B, ASP265A, ASP265B, ASP294A, ASP294B, ASP301A, ASP301B, ASP309A, ASP309B, ASP382A, ASP382B, ASP385A, ASP385B, GLN123A, GLN123B, GLN401A, GLN401B, GLU105A, GLU105B, GLU127A, GLU127B, GLU194A, GLU194B, GLU217A, GLU217B, GLU218A, GLU218B, GLU222A, GLU222B, GLU268A, GLU268B, GLU296A, GLU296B, GLU303A, GLU303B, GLU317A, GLU317B, GLU328A, GLU328B, GLU330A, GLU330B, GLU82A, GLU82B, GLY118A, GLY118B, GLY120A, GLY120B, GLY260A, GLY260B, GLY262A, GLY262B, GLY273A, GLY273B, GLY278A, GLY278B, GLY297A, GLY297B, GLY322A, GLY322B, GLY354A, GLY354B, GLY379A, GLY380A, GLY380B, GLY388A, GLY388B, GLY83A, GLY83B, HIS114A, HIS114B, HIS198A, HIS198B, HIS292A, HIS292B, HIS306A, HIS306B, HIS393A, HIS393B, HIS400A, HIS400B, ILE140A, ILE140B, ILE199A, ILE199B, ILE272A, ILE272B, ILE274A, ILE274B, ILE290A, ILE290B, ILE298A, ILE298B, ILE390A, ILE390B, ILE392A, ILE392B, LEU128A, LEU128B, LEU133A, LEU133B, LEU137A, LEU137B, LEU149A, LEU149B, LEU193A, LEU193B, LEU220A, LEU220B, LEU236A, LEU236B, LEU264A, LEU264B, LEU295A, LEU295B, LEU307A, LEU307B, LEU311A, LEU311B, LEU318A, LEU318B, LEU332A, LEU332B, LEU367A, LEU367B, LEU395A, LEU395B, LEU397A, LEU397B, LEU402A, LEU402B, LYS119A, LYS119B, LYS138A, LYS138B, LYS144A, LYS144B, LYS212A, LYS212B, LYS237A, LYS237B, LYS275A, LYS275B, LYS302A, LYS302B, LYS314A, LYS314B, LYS346A, LYS346B, LYS353A, LYS353B, LYS387A, LYS387B, LYS398A, LYS398B, LYS404A, LYS404B, LYS405A, LYS405B, MET266A, MET266B, MET300A, MET300B, MET305A, MET305B, MET310A, MET310B, MET329A, MET329B, MET357A, MET357B, MET80A, MET80B, PHE126A, PHE126B, PHE205A, PHE205B, PHE271A, PHE271B, PHE315A, PHE315B, PHE323A, PHE323B, PHE325A, PHE325B, PHE331B, PHE381A, PHE381B, PHE389A, PHE389B, PRO135A, PRO135B, PRO142A, PRO142B, PRO146A, PRO146B, PRO196A, PRO196B, PRO200A, PRO200B, PRO211A, PRO211B, PRO215A, PRO215B, PRO313A, PRO313B, PRO327A, PRO327B, PRO358A, PRO358B, SER141A, SER141B, SER210A, SER210B, SER276A, SER276B, SER326A, SER326B, SER350A, SER350B, SER363A, SER363B, SER366A, SER366B, SER386A, SER386B, THR117A, THR117B, THR129A, THR129B, THR286A, THR286B, THR299A, THR299B, THR348A, THR348B, THR384A, THR384B, TRP143A, TRP143B, TRP289A, TRP289B, TRP324A, TRP324B, TYR130A, TYR130B, TYR320A, TYR320B, TYR352A, TYR352B, TYR362A, TYR362B, TYR365A, TYR365B, TYR368A, TYR368B, TYR81A, TYR81B, TYR85A, TYR85B, VAL101A, VAL101B, VAL124A, VAL124B, VAL139A, VAL139B, VAL261A, VAL261B, VAL267A, VAL267B, VAL279A, VAL279B, VAL304A, VAL304B, VAL347A, VAL347B, VAL349A, VAL349B, VAL356A, VAL356B, VAL359A, VAL359B, VAL399A, VAL399B, VAL403A, VAL403B
• A-C: ALA312A, ALA312C, ALA334A, ALA334C, ALA335A, ALA335C, ALA339A, ALA339C, ALA394A, ARG270A, ARG270C, ARG308A, ARG308C, ARG337A, ARG337C, ARG396A, ARG396C, ASN269A, ASN269C, ASN321A, ASN321C, ASP301A, ASP301C, ASP309A, ASP309C, GLN123A, GLN123C, GLN340A, GLN340C, GLU303A, GLU303C, GLU317A, GLU317C, GLU328A, GLU328C, GLU330A, GLU330C, GLU341A, GLU341C, GLY118A, GLY118C, GLY273A, GLY273C, GLY388A, GLY77A, GLY77C, HIS306A, HIS306C, HIS393A, HIS393C, HIS400A, ILE272A, ILE272C, ILE274A, ILE274C, ILE392A, ILE392C, LEU307A, LEU307C, LEU311A, LEU311C, LEU318A, LEU318C, LEU332A, LEU332C, LEU333A, LEU333C, LEU395A, LEU395C, LEU397A, LEU402A, LEU76A, LYS119A, LYS119C, LYS275A, LYS275C, LYS302A, LYS302C, LYS314A, LYS314C, LYS338A, LYS338C, LYS398A, MET300A, MET300C, MET305A, MET305C, MET310A, MET310C, MET329A, MET329C, PHE271A, PHE271C, PHE315A, PHE315C, PHE323A, PHE323C, PHE331A, PHE331C, PHE336A, PHE336C, PHE389A, PHE389C, PRO327A, PRO327C, SER326A, SER326C, VAL124A, VAL124C, VAL304A, VAL304C, VAL399A, VAL399C, VAL403C
• A-D: ALA339D, ALA383A, ALA383D, ALA394A, ALA394D, ARG396A, ARG396D, ARG409A, ASN227D, ASN342A, ASN342D, ASN369A, ASN369D, ASN391A, ASN391D, ASP301A, ASP301D, ASP382A, ASP382D, ASP385A, ASP385D, GLN408A, GLU226D, GLU303A, GLU303D, GLU317A, GLU317D, GLU341A, GLU341D, GLY345D, GLY379A, GLY380A, GLY380D, GLY388A, GLY388D, GLY406A, HIS224D, HIS306A, HIS306D, HIS393A, HIS393D, HIS400A, HIS400D, ILE298A, ILE298D, ILE390A, ILE390D, ILE392A, ILE392D, LEU307A, LEU307D, LEU367A, LEU367D, LEU395A, LEU395D, LEU397A, LEU397D, LEU402A, LEU402D, LYS302A, LYS302D, LYS314A, LYS314D, LYS338A, LYS338D, LYS346D, LYS387A, LYS387D, LYS398A, LYS398D, LYS404A, LYS404D, LYS405A, MET300A, MET300D, MET305A, MET305D, MET310A, MET310D, PHE225D, PHE381A, PHE381D, PHE389A, PHE389D, PRO364A, PRO364D, SER363A, SER363D, SER366A, SER366D, SER386A, SER386D, THR299A, THR299D, THR344D, THR384A, THR384D, TYR362D, TYR365A, TYR365D, TYR368A, TYR368D, TYR407A, VAL231D, VAL304A, VAL304D, VAL399A, VAL399D, VAL403A, VAL403D
• B-C: ALA339B, ALA383B, ALA383C, ALA394B, ALA394C, ARG396B, ARG396C, ARG409B, ASN227C, ASN342B, ASN342C, ASN369B, ASN369C, ASN391B, ASN391C, ASP301B, ASP301C, ASP382B, ASP382C, ASP385B, ASP385C, GLN408B, GLU226C, GLU303B, GLU303C, GLU317B, GLU317C, GLU341B, GLU341C, GLY345C, GLY379C, GLY380B, GLY380C, GLY388B, GLY388C, GLY406B, HIS224C, HIS306B, HIS306C, HIS393B, HIS393C, HIS400B, HIS400C, ILE298B, ILE298C, ILE390B, ILE390C, ILE392B, ILE392C, LEU307B, LEU307C, LEU311C, LEU367B, LEU367C, LEU395B, LEU395C, LEU397B, LEU397C, LEU402B, LEU402C, LYS302B, LYS302C, LYS314B, LYS314C, LYS338B, LYS338C, LYS346C, LYS387B, LYS387C, LYS398B, LYS398C, LYS404B, LYS404C, LYS405B, MET300B, MET300C, MET305B, MET305C, MET310B, MET310C, PHE225C, PHE381B, PHE381C, PHE389B, PHE389C, PRO364B, PRO364C, SER363B, SER363C, SER366B, SER366C, SER386B, SER386C, THR299B, THR299C, THR344C, THR384B, THR384C, TYR362C, TYR365B, TYR365C, TYR368B, TYR368C, TYR407B, VAL231C, VAL304B, VAL304C, VAL399B, VAL399C, VAL403B, VAL403C
• B-D: ALA312B, ALA312D, ALA334B, ALA334D, ALA335B, ALA335D, ALA339B, ALA339D, ALA394B, ALA394D, ARG270B, ARG270D, ARG308B, ARG308D, ARG337B, ARG337D, ARG396B, ARG396D, ASN269B, ASN269D, ASN321B, ASN321D, ASP301B, ASP301D, ASP309B, ASP309D, GLN123B, GLN123D, GLN340B, GLN340D, GLU303B, GLU303D, GLU317B, GLU317D, GLU328B, GLU328D, GLU330B, GLU330D, GLU341B, GLU341D, GLY118B, GLY118D, GLY273B, GLY273D, GLY388D, GLY77B, GLY77D, HIS306B, HIS306D, HIS393B, HIS393D, HIS400B, HIS400D, ILE272B, ILE272D, ILE274B, ILE274D, ILE392B, ILE392D, LEU307B, LEU307D, LEU311B, LEU311D, LEU318B, LEU318D, LEU332B, LEU332D, LEU333B, LEU333D, LEU395B, LEU395D, LEU397B, LEU397D, LEU402D, LEU76B, LYS119B, LYS119D, LYS275B, LYS275D, LYS302B, LYS302D, LYS314B, LYS314D, LYS338B, LYS338D, LYS398B, LYS398D, MET300B, MET300D, MET305B, MET305D, MET310B, MET310D, MET329B, MET329D, PHE271B, PHE271D, PHE315B, PHE315D, PHE323B, PHE323D, PHE331B, PHE331D, PHE336B, PHE336D, PHE389B, PHE389D, PRO313D, PRO327B, PRO327D, SER326B, SER326D, VAL124B, VAL124D, VAL304B, VAL304D, VAL399B, VAL399D, VAL403D
• C-D: ALA116C, ALA131C, ALA131D, ALA132C, ALA132D, ALA197C, ALA197D, ALA214C, ALA214D, ALA291C, ALA291D, ALA312C, ALA312D, ALA316C, ALA316D, ALA360C, ALA360D, ALA383C, ALA383D, ALA394C, ALA394D, ARG125C, ARG125D, ARG263C, ARG263D, ARG270C, ARG270D, ARG277C, ARG277D, ARG293C, ARG293D, ARG308C, ARG308D, ARG361C, ARG361D, ARG396C, ARG396D, ARG84C, ARG84D, ASN121C, ASN121D, ASN134C, ASN134D, ASN136C, ASN136D, ASN259C, ASN259D, ASN269C, ASN269D, ASN321C, ASN321D, ASN355C, ASN355D, ASN369C, ASN369D, ASN391C, ASN391D, ASN78C, ASN78D, ASP122C, ASP122D, ASP145C, ASP145D, ASP195C, ASP195D, ASP213C, ASP213D, ASP216C, ASP216D, ASP265C, ASP265D, ASP294C, ASP294D, ASP301C, ASP301D, ASP309C, ASP309D, ASP382C, ASP382D, ASP385C, ASP385D, GLN123C, GLN123D, GLN401C, GLN401D, GLU105C, GLU127C, GLU127D, GLU147C, GLU194C, GLU194D, GLU217C, GLU217D, GLU218C, GLU218D, GLU222C, GLU222D, GLU268C, GLU268D, GLU296C, GLU296D, GLU303C, GLU303D, GLU317C, GLU317D, GLU328C, GLU328D, GLU330C, GLU330D, GLU82C, GLU82D, GLY118C, GLY118D, GLY120C, GLY120D, GLY260C, GLY260D, GLY262C, GLY262D, GLY273C, GLY273D, GLY278C, GLY278D, GLY297C, GLY297D, GLY322C, GLY322D, GLY354C, GLY354D, GLY379C, GLY380C, GLY380D, GLY388C, GLY388D, GLY83C, GLY83D, HIS114C, HIS114D, HIS198C, HIS198D, HIS292C, HIS292D, HIS306C, HIS306D, HIS393C, HIS393D, HIS400C, HIS400D, ILE140C, ILE140D, ILE199C, ILE199D, ILE272C, ILE272D, ILE274C, ILE274D, ILE290C, ILE290D, ILE298C, ILE298D, ILE390C, ILE390D, ILE392C, ILE392D, LEU128C, LEU128D, LEU133C, LEU133D, LEU137C, LEU137D, LEU149C, LEU149D, LEU193C, LEU193D, LEU220C, LEU220D, LEU236C, LEU236D, LEU264C, LEU264D, LEU295C, LEU295D, LEU307C, LEU307D, LEU311C, LEU311D, LEU318C, LEU318D, LEU332C, LEU332D, LEU367C, LEU367D, LEU395C, LEU395D, LEU397C, LEU397D, LEU402C, LEU402D, LYS119C, LYS119D, LYS138C, LYS138D, LYS144C, LYS144D, LYS212C, LYS212D, LYS237D, LYS275C, LYS275D, LYS302C, LYS302D, LYS314C, LYS314D, LYS346C, LYS346D, LYS353C, LYS353D, LYS387C, LYS387D, LYS398C, LYS398D, LYS404D, MET266C, MET266D, MET300C, MET300D, MET305C, MET305D, MET310C, MET310D, MET329C, MET329D, MET357C, MET357D, MET80C, MET80D, PHE126C, PHE126D, PHE205C, PHE205D, PHE271C, PHE271D, PHE315C, PHE315D, PHE323C, PHE323D, PHE325C, PHE325D, PHE381C, PHE381D, PHE389C, PHE389D, PRO135C, PRO135D, PRO142C, PRO142D, PRO146C, PRO146D, PRO196C, PRO196D, PRO200C, PRO200D, PRO211C, PRO211D, PRO215C, PRO215D, PRO313C, PRO313D, PRO327C, PRO327D, PRO358C, PRO358D, SER141C, SER141D, SER210C, SER210D, SER276C, SER276D, SER326C, SER326D, SER350C, SER350D, SER363C, SER363D, SER366C, SER366D, SER386C, SER386D, THR117C, THR117D, THR129C, THR129D, THR286C, THR286D, THR299C, THR299D, THR348C, THR348D, THR384C, THR384D, TRP143C, TRP143D, TRP289C, TRP289D, TRP324C, TRP324D, TYR130C, TYR130D, TYR320C, TYR320D, TYR352C, TYR352D, TYR362C, TYR362D, TYR365C, TYR365D, TYR368C, TYR368D, TYR81C, TYR81D, TYR85C, TYR85D, VAL101D, VAL124C, VAL124D, VAL139C, VAL139D, VAL261C, VAL261D, VAL267C, VAL267D, VAL279C, VAL279D, VAL304C, VAL304D, VAL347C, VAL347D, VAL349C, VAL349D, VAL356C, VAL356D, VAL359C, VAL359D, VAL399C, VAL399D, VAL403C, VAL403D