2E9F

crystal structure of t.th.hb8 argininosuccinate lyase complexed with l-arginine

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 381
  • Norm. En. per Res.: -4.3495
• 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	-240.1186	-298.7966	-1141.54	-1680.4552	389	102	26	48966	35	142	161
A-C	-60.5446	-143.9633	-453.493	-658.001	170	30	13	18187	11	44	35
A-D	-41.1702	-209.0785	-444.833	-695.0817	161	19	25	18512	20	54	66
B-C	-64.5791	-220.9351	-429.743	-715.2572	166	21	25	18122	24	56	68
B-D	-30.1548	-146.482	-310.7	-487.3368	165	22	13	13440	8	39	31
C-D	-194.2185	-312.9088	-1150.05	-1657.1773	381	92	26	48444	40	145	157

Interface residues

• A-B: ALA107A, ALA107B, ALA163A, ALA163B, ALA169A, ALA169B, ALA174A, ALA174B, ALA183A, ALA183B, ALA189A, ALA189B, ALA200A, ALA200B, ALA201A, ALA201B, ALA202A, ALA202B, ALA204A, ALA204B, ALA216A, ALA223A, ALA223B, ALA231A, ALA231B, ALA233A, ALA233B, ALA238A, ALA238B, ALA244A, ALA244B, ALA256A, ALA256B, ALA297A, ALA297B, ALA299A, ALA299B, ALA305B, ALA311A, ALA311B, ALA319A, ALA319B, ALA374A, ALA374B, ALA378A, ALA378B, ALA387A, ALA387B, ALA444A, ALA444B, ALA447A, ALA447B, ALA455A, ALA455B, ALA91B, ARG108A, ARG108B, ARG110A, ARG110B, ARG119A, ARG119B, ARG162A, ARG162B, ARG181A, ARG181B, ARG185A, ARG185B, ARG192A, ARG192B, ARG212A, ARG212B, ARG226A, ARG226B, ARG235A, ARG235B, ARG254A, ARG254B, ARG296A, ARG296B, ARG301A, ARG301B, ARG385A, ARG385B, ARG436A, ARG436B, ARG437A, ARG437B, ARG438A, ARG438B, ARG451A, ARG451B, ASN111A, ASN111B, ASN194B, ASN227A, ASN227B, ASN22A, ASN22B, ASN246A, ASN246B, ASN321A, ASN321B, ASP182A, ASP182B, ASP188A, ASP188B, ASP211A, ASP211B, ASP230A, ASP230B, ASP236A, ASP236B, ASP323A, ASP323B, ASP375A, ASP375B, GLN161A, GLN161B, GLN164A, GLN164B, GLU177A, GLU177B, GLU187A, GLU187B, GLU191A, GLU191B, GLU195A, GLU195B, GLU240A, GLU240B, GLU257A, GLU257B, GLU258A, GLU258B, GLU293A, GLU293B, GLU372A, GLU372B, GLU379A, GLU379B, GLU386A, GLU386B, GLU450A, GLU450B, GLU453B, GLU454A, GLU454B, GLU458A, GLU458B, GLU56A, GLU56B, GLU90A, GLU90B, GLY101A, GLY101B, GLY102A, GLY102B, GLY156A, GLY156B, GLY184A, GLY184B, GLY199A, GLY199B, GLY205A, GLY205B, GLY207A, GLY207B, GLY248A, GLY248B, GLY300A, GLY300B, GLY304A, GLY304B, GLY308A, GLY308B, GLY315A, GLY315B, GLY381A, GLY381B, GLY441A, GLY441B, GLY442A, GLY442B, GLY50A, GLY50B, HIS105A, HIS105B, HIS159A, HIS159B, HIS170A, HIS170B, HIS213A, HIS213B, HIS251A, HIS251B, HIS388B, HIS42A, HIS42B, HIS435A, HIS435B, HIS86B, ILE210A, ILE210B, ILE247A, ILE247B, ILE260A, ILE260B, ILE295A, ILE295B, ILE434A, ILE434B, LEU104A, LEU104B, LEU154A, LEU154B, LEU160A, LEU160B, LEU167A, LEU167B, LEU168A, LEU168B, LEU173A, LEU173B, LEU179A, LEU179B, LEU186A, LEU186B, LEU193A, LEU193B, LEU198A, LEU198B, LEU203A, LEU203B, LEU229A, LEU229B, LEU239A, LEU239B, LEU242A, LEU242B, LEU245A, LEU245B, LEU250A, LEU250B, LEU252A, LEU252B, LEU259A, LEU259B, LEU261A, LEU261B, LEU294A, LEU294B, LEU303A, LEU303B, LEU309A, LEU309B, LEU316A, LEU316B, LEU318A, LEU318B, LEU324A, LEU324B, LEU377A, LEU377B, LEU382A, LEU382B, LEU427A, LEU427B, LEU452B, LEU46A, LEU46B, LEU51A, LEU51B, LEU52A, LEU52B, LYS103A, LYS103B, LYS180A, LYS180B, LYS222B, LYS298A, LYS298B, LYS314A, LYS314B, LYS322A, LYS322B, LYS380A, LYS380B, LYS456B, LYS457A, LYS457B, MET178A, MET178B, MET225A, MET225B, MET249A, MET249B, MET255A, MET255B, MET87B, PHE172A, PHE172B, PHE208A, PHE208B, PHE237A, PHE237B, PHE267A, PHE267B, PHE306A, PHE306B, PHE384A, PHE384B, PRO100A, PRO100B, PRO155A, PRO155B, PRO165A, PRO165B, PRO209A, PRO209B, PRO224A, PRO224B, PRO317A, PRO317B, PRO383A, PRO383B, PRO99A, PRO99B, SER109A, SER109B, SER196A, SER196B, SER228A, SER228B, SER234A, SER234B, SER243A, SER243B, SER253A, SER253B, SER310A, SER310B, SER439A, SER439B, THR106A, THR106B, THR158A, THR158B, THR206A, THR206B, THR371A, THR371B, THR443A, THR443B, THR94B, TRP171A, TRP171B, TYR157A, TYR157B, TYR175A, TYR175B, TYR176A, TYR176B, TYR262A, TYR262B, TYR320A, TYR320B, TYR376A, TYR376B, TYR440A, TYR440B, VAL166A, VAL166B, VAL232A, VAL232B, VAL241A, VAL241B, VAL302A, VAL302B, VAL307A, VAL307B, VAL312A, VAL312B, VAL313A, VAL313B, VAL448A, VAL448B, VAL459A, VAL49A, VAL49B
• A-C: ALA163A, ALA163C, ALA277A, ALA277C, ALA311A, ALA311C, ALA362A, ALA362C, ALA363A, ALA363C, ALA370A, ALA370C, ALA374A, ALA374C, ALA387A, ALA387C, ARG162A, ARG162C, ARG296A, ARG296C, ARG358A, ARG358C, ARG393A, ARG393C, ARG396A, ARG396C, ARG437A, ASN288A, ASN288C, ASP290A, ASP290C, ASP323A, ASP323C, ASP375A, ASP375C, GLN161A, GLN161C, GLN164A, GLN285A, GLN285C, GLU257A, GLU257C, GLU265A, GLU265C, GLU266A, GLU266C, GLU293A, GLU293C, GLU326A, GLU326C, GLU364A, GLU372A, GLU372C, GLY156A, GLY268A, GLY268C, GLY279A, GLY279C, GLY300A, GLY300C, GLY304A, GLY304C, GLY308A, GLY308C, GLY315A, GLY315C, GLY365A, GLY365C, GLY366A, GLY366C, GLY392A, GLY392C, HIS159A, HIS159C, HIS388A, HIS388C, HIS389A, HIS389C, ILE260A, ILE260C, ILE282A, ILE282C, ILE291C, LEU160A, LEU160C, LEU259A, LEU261A, LEU261C, LEU294A, LEU294C, LEU303A, LEU303C, LEU309A, LEU309C, LEU316A, LEU316C, LEU369A, LEU369C, LEU373A, LEU373C, LEU377C, LEU394A, LEU394C, LEU398A, LEU398C, LEU405A, LEU405C, LYS286A, LYS286C, LYS287A, LYS287C, LYS314A, LYS314C, MET283A, MET283C, PHE267A, PHE267C, PHE269A, PHE269C, PHE306A, PHE306C, PHE384A, PRO155A, PRO155C, PRO165A, PRO284A, PRO284C, PRO289A, PRO289C, SER263A, SER263C, SER280A, SER280C, SER281A, SER281C, SER310A, SER310C, THR158A, THR158C, THR264A, THR264C, THR278A, THR278C, THR368A, THR368C, THR371A, THR371C, TYR157A, TYR157C, TYR262A, TYR262C, TYR367A, TYR367C, VAL270C, VAL272A, VAL272C, VAL307A, VAL307C, VAL312A, VAL312C, VAL313A, VAL313C, VAL390A, VAL390C, VAL391A, VAL391C, VAL395A, VAL395C, VAL399A, VAL399C
• A-D: ALA16A, ALA16D, ALA18A, ALA18D, ALA19A, ALA19D, ALA23A, ALA23D, ALA275A, ALA275D, ALA277A, ALA277D, ALA297A, ALA297D, ALA299A, ALA299D, ALA305A, ALA305D, ALA311A, ALA311D, ALA336A, ALA336D, ALA346A, ALA346D, ALA347A, ALA347D, ARG20A, ARG20D, ARG296A, ARG296D, ARG301A, ARG301D, ARG339A, ARG339D, ARG343A, ARG343D, ASN22A, ASN22D, ASN246A, ASN246D, ASN288A, ASN288D, ASN321A, ASN321D, ASP15A, ASP15D, ASP290A, ASP290D, ASP323A, ASP323D, ASP327A, ASP327D, ASP333A, ASP333D, ASP340A, ASP340D, GLN325A, GLN325D, GLU257A, GLU257D, GLU293A, GLU293D, GLU326A, GLU326D, GLU329A, GLU329D, GLU83A, GLU83D, GLY13D, GLY300A, GLY300D, GLY304A, GLY304D, GLY308A, GLY308D, GLY315A, GLY315D, ILE260A, ILE260D, ILE291A, ILE291D, ILE295A, ILE295D, LEU132A, LEU132D, LEU17A, LEU17D, LEU250A, LEU250D, LEU261A, LEU261D, LEU292A, LEU292D, LEU294A, LEU294D, LEU303A, LEU303D, LEU309A, LEU309D, LEU316A, LEU316D, LEU324A, LEU324D, LEU342A, LEU342D, LEU344A, LEU344D, LEU345A, LEU345D, LEU348A, LEU348D, LYS298A, LYS298D, LYS314A, LYS314D, LYS322A, LYS322D, LYS328A, LYS328D, MET249A, MET249D, PHE21A, PHE21D, PHE276A, PHE276D, PHE27A, PHE27D, PHE306A, PHE306D, PRO14A, PRO14D, PRO289A, PRO289D, PRO317A, PRO317D, PRO330A, PRO330D, SER24A, SER24D, SER310A, SER310D, SER341A, SER341D, THR264A, THR264D, THR278A, THR278D, THR337A, THR337D, TYR320A, TYR320D, TYR338A, TYR338D, VAL302A, VAL302D, VAL307A, VAL307D, VAL312A, VAL312D, VAL313A, VAL313D
• B-C: ALA16B, ALA16C, ALA18B, ALA18C, ALA19B, ALA19C, ALA202B, ALA23B, ALA23C, ALA275B, ALA275C, ALA277B, ALA277C, ALA297B, ALA297C, ALA299B, ALA299C, ALA305B, ALA305C, ALA311B, ALA311C, ALA336B, ALA336C, ALA346B, ALA346C, ALA347B, ALA347C, ARG20B, ARG20C, ARG296B, ARG296C, ARG301B, ARG301C, ARG339B, ARG339C, ARG343B, ARG343C, ASN111B, ASN22B, ASN22C, ASN246B, ASN246C, ASN288B, ASN288C, ASN321B, ASN321C, ASP15B, ASP15C, ASP290B, ASP290C, ASP323B, ASP323C, ASP327B, ASP327C, ASP333B, ASP333C, ASP340B, ASP340C, GLN325B, GLN325C, GLU257B, GLU257C, GLU293B, GLU293C, GLU326B, GLU326C, GLU329B, GLU329C, GLU83B, GLU83C, GLY13B, GLY300B, GLY300C, GLY304B, GLY304C, GLY308B, GLY308C, GLY315B, GLY315C, ILE260B, ILE260C, ILE291B, ILE291C, ILE295B, ILE295C, LEU132B, LEU132C, LEU17B, LEU17C, LEU203B, LEU250B, LEU250C, LEU252C, LEU261B, LEU261C, LEU292B, LEU292C, LEU294B, LEU294C, LEU303B, LEU303C, LEU309B, LEU309C, LEU316B, LEU316C, LEU324B, LEU324C, LEU342B, LEU342C, LEU344B, LEU344C, LEU345B, LEU345C, LEU348B, LEU348C, LYS286C, LYS298B, LYS298C, LYS314B, LYS314C, LYS322B, LYS322C, LYS328B, LYS328C, MET249B, MET249C, PHE21B, PHE21C, PHE276B, PHE276C, PHE27B, PHE27C, PHE306B, PHE306C, PRO14B, PRO14C, PRO289B, PRO289C, PRO317B, PRO317C, PRO330B, PRO330C, SER24B, SER24C, SER310B, SER310C, SER341B, SER341C, THR264B, THR264C, THR278B, THR278C, THR337B, THR337C, TYR320B, TYR320C, TYR338B, TYR338C, VAL302B, VAL302C, VAL307B, VAL307C, VAL312B, VAL312C, VAL313B, VAL313C
• B-D: ALA163B, ALA163D, ALA277B, ALA277D, ALA311B, ALA311D, ALA362B, ALA362D, ALA370B, ALA370D, ALA374B, ALA374D, ALA387B, ALA387D, ARG162B, ARG162D, ARG254B, ARG296B, ARG296D, ARG361B, ARG385B, ARG385D, ARG393B, ARG393D, ARG396B, ARG396D, ASN288B, ASN288D, ASP290B, ASP290D, ASP323B, ASP323D, GLN161B, GLN161D, GLN285B, GLN285D, GLU257B, GLU257D, GLU265B, GLU265D, GLU266B, GLU266D, GLU271B, GLU293B, GLU293D, GLU326B, GLU326D, GLU372B, GLU372D, GLU386D, GLY268B, GLY268D, GLY279B, GLY279D, GLY300B, GLY304B, GLY304D, GLY308B, GLY308D, GLY315B, GLY315D, GLY365B, GLY365D, GLY366B, GLY366D, GLY392B, GLY392D, HIS159B, HIS159D, HIS388B, HIS388D, HIS389B, HIS389D, ILE260B, ILE260D, ILE282B, ILE282D, ILE291B, ILE291D, LEU160B, LEU160D, LEU259B, LEU259D, LEU261B, LEU261D, LEU292D, LEU294B, LEU294D, LEU303B, LEU303D, LEU309B, LEU309D, LEU316B, LEU316D, LEU369B, LEU369D, LEU373B, LEU373D, LEU394B, LEU394D, LEU398D, LEU405B, LYS286B, LYS286D, LYS287B, LYS287D, LYS314B, LYS314D, MET283B, MET283D, PHE267B, PHE267D, PHE269B, PHE269D, PHE306B, PHE306D, PHE384B, PHE384D, PRO155B, PRO155D, PRO284B, PRO284D, PRO289B, PRO289D, SER263B, SER263D, SER280B, SER280D, SER281B, SER281D, SER310B, SER310D, THR158B, THR158D, THR264B, THR264D, THR278B, THR278D, THR368B, THR368D, THR371B, THR371D, TYR157B, TYR157D, TYR262B, TYR262D, TYR367B, TYR367D, VAL270B, VAL272B, VAL272D, VAL307B, VAL307D, VAL312B, VAL312D, VAL313B, VAL313D, VAL390B, VAL390D, VAL391B, VAL391D, VAL395B, VAL395D, VAL399B, VAL399D
• C-D: ALA107C, ALA107D, ALA163C, ALA163D, ALA169C, ALA169D, ALA174C, ALA174D, ALA183C, ALA183D, ALA189C, ALA189D, ALA200C, ALA200D, ALA201C, ALA201D, ALA202C, ALA202D, ALA204C, ALA204D, ALA216D, ALA223C, ALA223D, ALA231C, ALA231D, ALA233C, ALA233D, ALA238C, ALA238D, ALA244C, ALA244D, ALA256C, ALA256D, ALA297C, ALA297D, ALA299C, ALA299D, ALA311C, ALA311D, ALA319C, ALA319D, ALA374C, ALA374D, ALA378C, ALA378D, ALA387C, ALA387D, ALA444C, ALA444D, ALA447C, ALA447D, ALA455C, ALA455D, ARG108C, ARG108D, ARG110C, ARG110D, ARG119C, ARG119D, ARG137C, ARG137D, ARG162C, ARG162D, ARG181C, ARG181D, ARG185C, ARG185D, ARG192C, ARG192D, ARG212C, ARG212D, ARG226C, ARG226D, ARG235C, ARG235D, ARG254C, ARG254D, ARG296C, ARG296D, ARG301C, ARG301D, ARG385C, ARG385D, ARG436C, ARG436D, ARG437C, ARG437D, ARG438C, ARG438D, ARG451C, ARG451D, ASN111C, ASN111D, ASN194D, ASN227C, ASN227D, ASN22C, ASN22D, ASN246C, ASN246D, ASN321C, ASN321D, ASP182C, ASP182D, ASP188C, ASP188D, ASP211C, ASP211D, ASP230C, ASP230D, ASP236C, ASP236D, ASP323C, ASP323D, ASP375C, ASP375D, GLN161C, GLN161D, GLN164C, GLN164D, GLU177C, GLU177D, GLU187C, GLU187D, GLU191C, GLU191D, GLU195C, GLU195D, GLU240C, GLU240D, GLU257C, GLU257D, GLU258C, GLU258D, GLU293C, GLU293D, GLU372C, GLU372D, GLU379C, GLU379D, GLU386C, GLU386D, GLU450C, GLU450D, GLU454C, GLU454D, GLU458C, GLU458D, GLU56C, GLU90C, GLU90D, GLY101C, GLY101D, GLY102C, GLY102D, GLY156C, GLY156D, GLY184C, GLY184D, GLY199C, GLY199D, GLY205C, GLY205D, GLY207C, GLY207D, GLY248C, GLY248D, GLY300C, GLY300D, GLY304C, GLY304D, GLY308C, GLY308D, GLY315C, GLY315D, GLY381C, GLY381D, GLY441C, GLY441D, GLY442C, GLY442D, GLY50C, GLY50D, HIS105C, HIS105D, HIS159C, HIS159D, HIS170C, HIS170D, HIS213C, HIS213D, HIS251C, HIS251D, HIS435C, HIS435D, ILE210C, ILE210D, ILE247C, ILE247D, ILE260C, ILE260D, ILE295C, ILE295D, ILE434C, ILE434D, LEU104C, LEU104D, LEU154C, LEU154D, LEU160C, LEU160D, LEU167C, LEU167D, LEU168C, LEU168D, LEU173C, LEU173D, LEU179C, LEU186C, LEU186D, LEU193C, LEU193D, LEU198C, LEU198D, LEU203C, LEU203D, LEU229C, LEU229D, LEU239C, LEU239D, LEU242C, LEU242D, LEU245C, LEU245D, LEU250C, LEU250D, LEU252C, LEU252D, LEU259C, LEU259D, LEU261C, LEU261D, LEU294C, LEU294D, LEU303C, LEU303D, LEU309C, LEU309D, LEU316C, LEU316D, LEU318C, LEU318D, LEU324C, LEU324D, LEU377C, LEU377D, LEU382C, LEU382D, LEU427C, LEU427D, LEU46C, LEU46D, LEU51C, LEU51D, LEU52D, LYS103C, LYS103D, LYS180C, LYS180D, LYS298C, LYS298D, LYS314C, LYS314D, LYS322C, LYS322D, LYS380C, LYS380D, LYS456D, LYS457C, LYS457D, MET178C, MET178D, MET225C, MET225D, MET249C, MET249D, MET255C, MET255D, MET87D, PHE172C, PHE172D, PHE208C, PHE208D, PHE237C, PHE237D, PHE267C, PHE267D, PHE306C, PHE306D, PHE384C, PHE384D, PRO100C, PRO100D, PRO155C, PRO155D, PRO165C, PRO165D, PRO197C, PRO209C, PRO209D, PRO224C, PRO224D, PRO317C, PRO317D, PRO383C, PRO383D, PRO99C, PRO99D, SER109C, SER109D, SER196C, SER196D, SER228C, SER228D, SER234C, SER234D, SER243C, SER243D, SER253C, SER253D, SER310C, SER310D, SER439C, SER439D, THR106C, THR106D, THR158C, THR158D, THR206C, THR206D, THR371C, THR371D, THR443C, THR443D, TRP171C, TRP171D, TYR157C, TYR157D, TYR175C, TYR175D, TYR176C, TYR176D, TYR262C, TYR262D, TYR320C, TYR320D, TYR376C, TYR376D, TYR440C, TYR440D, VAL141C, VAL166C, VAL166D, VAL232C, VAL232D, VAL241C, VAL241D, VAL302C, VAL302D, VAL307C, VAL307D, VAL312C, VAL312D, VAL313C, VAL313D, VAL448C, VAL448D, VAL459C, VAL459D, VAL49C, VAL49D