2J91

crystal structure of human adenylosuccinate lyase in complex with amp

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 223
  • Norm. En. per Res.: -5.143
• 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	-299.8332	-215.0674	-1114.65	-1629.5506	320	44	21	42222	25	95	88
A-C	-66.0679	-102.3508	-440.995	-609.4138	150	20	5	17094	15	50	49
A-D	-157.9121	-208.0698	-770.376	-1136.3579	230	42	14	28563	19	102	100
B-C	-170.4688	-192.4185	-783.996	-1146.8833	223	39	14	28387	20	103	99
B-D	-49.0692	-95.1328	-454.399	-598.601	155	23	5	17741	12	50	49
C-D	-299.1956	-229.4247	-1100.83	-1629.4503	322	41	21	41786	25	96	89

Interface residues

• A-B: ALA146A, ALA146B, ALA163A, ALA163B, ALA206A, ALA206B, ALA235A, ALA235B, ALA256A, ALA256B, ALA260A, ALA260B, ALA273A, ALA273B, ALA308A, ALA308B, ALA322A, ALA322B, ALA453A, ALA453B, ARG171A, ARG171B, ARG188A, ARG188B, ARG194A, ARG194B, ARG234A, ARG234B, ARG245A, ARG245B, ARG270A, ARG270B, ARG309A, ARG309B, ARG329A, ARG329B, ARG396B, ARG452A, ARG452B, ARG459A, ARG459B, ASN185A, ASN185B, ASN274A, ASN274B, ASN384A, ASN384B, ASP178A, ASP178B, ASP182A, ASP182B, ASP192A, ASP192B, ASP215A, ASP215B, ASP216A, ASP216B, ASP223A, ASP223B, ASP248A, ASP268A, ASP268B, ASP332A, ASP332B, CYS172A, CYS172B, CYS173A, CYS173B, CYS180A, CYS180B, CYS266A, CYS266B, CYS305A, CYS305B, GLN161A, GLN161B, GLN164A, GLN164B, GLN177A, GLN177B, GLN184A, GLN184B, GLN205A, GLN205B, GLN210A, GLN210B, GLN221A, GLN221B, GLN241A, GLN241B, GLN320A, GLN320B, GLN325A, GLN325B, GLN455A, GLN455B, GLN456A, GLN456B, GLN458A, GLN458B, GLU213A, GLU220A, GLU220B, GLU250A, GLU250B, GLU277A, GLU277B, GLU328A, GLU328B, GLU383A, GLU383B, GLU462A, GLU462B, GLU463A, GLU463B, GLU464A, GLU464B, GLY109A, GLY156A, GLY156B, GLY169A, GLY169B, GLY200A, GLY200B, GLY203A, GLY203B, GLY214A, GLY214B, GLY240A, GLY240B, GLY259A, GLY259B, GLY451A, GLY451B, HIS159A, HIS159B, HIS217A, HIS217B, HIS263A, HIS263B, HIS310A, HIS310B, HIS86A, ILE176A, ILE176B, ILE237A, ILE237B, ILE238A, ILE238B, ILE249A, ILE249B, ILE265A, ILE265B, ILE269A, ILE269B, LEU135A, LEU135B, LEU155A, LEU155B, LEU165A, LEU165B, LEU174A, LEU174B, LEU179A, LEU179B, LEU183A, LEU183B, LEU186A, LEU186B, LEU193A, LEU209A, LEU209B, LEU211A, LEU211B, LEU252A, LEU252B, LEU255A, LEU255B, LEU258A, LEU258B, LEU271A, LEU271B, LEU272A, LEU272B, LEU275A, LEU275B, LEU311A, LEU311B, LEU314A, LEU314B, LEU319A, LEU319B, LEU331A, LEU331B, LEU461A, LEU461B, LEU468A, LEU468B, LYS170A, LYS170B, LYS199A, LYS199B, LYS218A, LYS218B, LYS224A, LYS224B, LYS246A, LYS246B, LYS264A, LYS264B, MET181A, MET181B, MET278A, MET278B, MET312A, MET312B, MET316A, MET316B, MET380A, MET380B, MET387A, MET387B, PHE157A, PHE157B, PHE160A, PHE160B, PHE208A, PHE208B, PHE212A, PHE212B, PHE236A, PHE236B, PHE327A, PHE327B, PHE449A, PHE449B, PHE460A, PHE460B, PRO162A, PRO162B, PRO318A, PRO318B, PRO467A, PRO467B, SER112A, SER207A, SER207B, SER253A, SER253B, SER257A, SER257B, SER261A, SER261B, SER323A, SER323B, SER334A, SER447A, SER447B, SER448A, SER448B, SER454A, SER454B, THR111A, THR111B, THR154A, THR154B, THR158A, THR158B, THR166A, THR166B, THR167A, THR167B, THR201A, THR201B, THR202A, THR202B, THR204A, THR204B, THR239A, THR239B, THR242A, THR242B, THR244A, THR244B, THR267A, THR267B, THR313A, THR313B, THR321A, THR321B, THR330A, THR330B, THR450A, THR450B, TRP175A, TRP175B, TRP326A, TRP326B, TYR243A, TYR243B, VAL189A, VAL189B, VAL198A, VAL198B, VAL219A, VAL219B, VAL247A, VAL247B, VAL254A, VAL254B, VAL262A, VAL262B, VAL315A, VAL315B, VAL324A, VAL324B, VAL457A, VAL457B, VAL465A, VAL465B
• A-C: ALA163A, ALA163C, ALA273A, ALA273C, ALA410A, ALA410C, ALA411A, ALA411C, ARG270A, ARG270C, ARG296A, ARG296C, ARG300A, ARG300C, ARG303A, ARG303C, ARG371A, ARG371C, ARG372A, ARG372C, ARG374A, ARG374C, ARG404A, ASN274A, ASN274C, ASN297A, ASN297C, ASN421A, ASN421C, ASP317A, ASP317C, ASP420A, ASP420C, GLN161A, GLN161C, GLN164A, GLN164C, GLN320A, GLN320C, GLN375A, GLN375C, GLN408A, GLN408C, GLN416A, GLN416C, GLU277A, GLU277C, GLU279A, GLU279C, GLU280A, GLU280C, GLU302A, GLU302C, GLU370A, GLU370C, GLU376A, GLU376C, GLU417A, GLU417C, GLY156A, GLY156C, GLY418A, GLY418C, GLY419A, GLY419C, HIS159A, HIS159C, HIS263A, HIS263C, ILE269A, ILE269C, ILE369A, ILE369C, LEU155A, LEU155C, LEU271A, LEU271C, LEU272A, LEU272C, LEU275A, LEU275C, LEU319A, LEU319C, LEU377A, LEU377C, LEU423A, LEU423C, LYS276A, LYS276C, LYS295A, LYS295C, LYS367A, LYS367C, LYS415A, LYS415C, MET278A, MET278C, MET299A, MET299C, MET316A, MET316C, MET380A, MET380C, PHE157A, PHE157C, PHE160A, PHE160C, PHE282A, PHE327A, PHE379A, PHE379C, PRO162A, PRO162C, PRO298A, PRO298C, PRO366A, PRO366C, PRO378A, SER323A, SER323C, SER407A, SER407C, SER412A, SER412C, THR158A, THR158C, THR267A, THR267C, THR313A, THR313C, TRP326A, TRP326C, TYR294A, TYR294C, TYR365A, TYR365C, VAL315A, VAL315C, VAL324A, VAL324C, VAL363A, VAL363C, VAL364A, VAL364C, VAL368A, VAL368C, VAL413A, VAL413C, VAL414A, VAL414C
• A-D: 7110CB7.7809, ALA18A, ALA18D, ALA22A, ALA22D, ALA260A, ALA273A, ALA273D, ALA308A, ALA308D, ALA322A, ALA322D, ALA335A, ALA335D, ALA342A, ALA342D, ALA344A, ALA78A, ALA78D, ARG14A, ARG14D, ARG20A, ARG20D, ARG245A, ARG245D, ARG270A, ARG270D, ARG296A, ARG300A, ARG300D, ARG303A, ARG303D, ARG309A, ARG309D, ARG329A, ARG329D, ARG337A, ARG337D, ARG338A, ARG338D, ARG33A, ARG33D, ARG37D, ARG85A, ARG85D, ASN274A, ASN274D, ASN297A, ASN297D, ASN336A, ASN336D, ASN357D, ASP11A, ASP11D, ASP268A, ASP268D, ASP317A, ASP317D, ASP32A, ASP32D, ASP332A, ASP332D, ASP333A, ASP333D, ASP6A, ASP6A9, ASP6D, ASP87A, ASP87D, CYS266A, CYS266D, CYS27A, CYS27D, CYS304A, CYS304D, CYS305A, CYS305D, CYS340A, CYS340D, GLN241A, GLN241D, GLN320A, GLN320D, GLN325A, GLN325D, GLU25A, GLU25D, GLU302A, GLU302D, GLU343A, GLU343D, GLU81A, GLU81D, GLY5A, GLY5D, GLY8A, GLY8D, HIS263A, HIS263D, HIS310A, HIS310D, HIS7A, HIS7D, HIS86A, HIS86D, HIS91A, HIS91D, ILE269A, ILE269D, ILE339A, ILE339D, ILE72A, ILE72D, LEU17A, LEU17D, LEU252A, LEU252D, LEU271A, LEU271D, LEU272A, LEU272D, LEU307A, LEU307D, LEU311A, LEU311D, LEU314A, LEU314D, LEU319A, LEU319D, LEU331A, LEU331D, LEU341A, LEU341D, LEU346A, LEU346D, LEU84A, LEU84D, LYS295A, LYS295D, LYS35A, LYS35D, LYS75A, LYS82D, MET26A, MET26D, MET299A, MET299D, MET312A, MET312D, MET316A, MET316D, MET89A, PHE160A, PHE160D, PHE282A, PHE28A, PHE28D, PHE30A, PHE30D, PHE327A, PHE327D, PHE36A, PHE36D, PHE74A, PHE74D, PRO10A, PRO10D, PRO16A, PRO16D, PRO24A, PRO24D, PRO293D, PRO298A, PRO298D, PRO318A, PRO318D, SER12A, SER12D, SER15A, SER15D, SER19A, SER19D, SER23A, SER23D, SER301A, SER301D, SER306A, SER306D, SER31A, SER31D, SER323A, SER323D, SER334A, SER334D, SER9A, SER9D, THR201A, THR201D, THR202A, THR202D, THR267A, THR267D, THR313A, THR313D, THR321A, THR321D, THR330A, THR330D, THR347A, THR347D, THR350A, THR350D, TRP326A, TRP326D, TRP39A, TRP39D, TYR13A, TYR13D, TYR21A, TYR21D, TYR34A, TYR34D, VAL29A, VAL29D, VAL315A, VAL315D, VAL324A, VAL324D, VAL88A, VAL88D
• B-C: ALA18B, ALA18C, ALA22B, ALA22C, ALA260B, ALA260C, ALA273B, ALA273C, ALA308B, ALA308C, ALA322B, ALA322C, ALA335B, ALA335C, ALA342B, ALA342C, ALA344C, ALA78B, ALA78C, ARG14B, ARG14C, ARG20B, ARG20C, ARG245B, ARG245C, ARG270B, ARG270C, ARG296B, ARG300B, ARG300C, ARG303B, ARG303C, ARG309B, ARG309C, ARG329B, ARG329C, ARG337B, ARG337C, ARG338B, ARG338C, ARG33B, ARG33C, ARG85B, ARG85C, ASN274B, ASN274C, ASN297B, ASN297C, ASN336B, ASN336C, ASN357C, ASP11B, ASP11C, ASP268B, ASP268C, ASP317B, ASP317C, ASP32B, ASP32C, ASP332B, ASP332C, ASP333B, ASP333C, ASP6B, ASP6C, ASP87B, ASP87C, CYS266B, CYS266C, CYS27B, CYS27C, CYS304B, CYS304C, CYS305B, CYS305C, CYS340B, CYS340C, GLN241B, GLN241C, GLN320B, GLN320C, GLN325B, GLN325C, GLU25C, GLU302B, GLU302C, GLU343B, GLU343C, GLU81B, GLU81C, GLY5B, GLY5C, GLY8B, GLY8C, HIS263B, HIS263C, HIS310B, HIS310C, HIS7B, HIS7C, HIS86B, HIS86C, HIS91C, ILE269B, ILE269C, ILE339B, ILE339C, ILE72B, ILE72C, LEU17B, LEU17C, LEU252B, LEU252C, LEU271B, LEU271C, LEU272B, LEU272C, LEU307B, LEU307C, LEU311B, LEU311C, LEU314B, LEU314C, LEU319B, LEU319C, LEU331B, LEU331C, LEU341B, LEU341C, LEU346B, LEU346C, LEU84C, LYS295B, LYS295C, LYS35B, LYS35C, LYS75B, LYS75C, MET26B, MET26C, MET299B, MET299C, MET312B, MET312C, MET316B, MET316C, PHE160B, PHE160C, PHE282B, PHE28B, PHE28C, PHE30B, PHE30C, PHE327B, PHE327C, PHE36B, PHE36C, PHE74B, PHE74C, PRO10B, PRO10C, PRO16B, PRO16C, PRO24B, PRO24C, PRO293B, PRO298B, PRO298C, PRO318B, PRO318C, SER12B, SER12C, SER15B, SER15C, SER19B, SER19C, SER23B, SER23C, SER301B, SER301C, SER306B, SER306C, SER31B, SER31C, SER323B, SER323C, SER334B, SER334C, SER9B, SER9C, THR201B, THR201C, THR202B, THR202C, THR267B, THR267C, THR313B, THR313C, THR321B, THR321C, THR330B, THR330C, THR347B, THR347C, THR350B, THR350C, TRP326B, TRP326C, TRP39B, TRP39C, TYR13B, TYR13C, TYR21B, TYR21C, TYR34B, TYR34C, VAL29B, VAL29C, VAL315B, VAL315C, VAL324B, VAL324C, VAL88C
• B-D: ALA163B, ALA163D, ALA273B, ALA273D, ALA410B, ALA410D, ALA411B, ALA411D, ARG270B, ARG270D, ARG296B, ARG296D, ARG300B, ARG300D, ARG303B, ARG303D, ARG371B, ARG371D, ARG372B, ARG372D, ARG374B, ARG374D, ARG404B, ARG404D, ASN274B, ASN274D, ASN297B, ASN297D, ASN421B, ASN421D, ASP317B, ASP317D, ASP420B, ASP420D, GLN161B, GLN161D, GLN164B, GLN164D, GLN320B, GLN320D, GLN375B, GLN375D, GLN408B, GLN408D, GLN416B, GLN416D, GLU277B, GLU277D, GLU279B, GLU279D, GLU280B, GLU280D, GLU302B, GLU302D, GLU370B, GLU370D, GLU376B, GLU376D, GLU417B, GLU417D, GLY156B, GLY156D, GLY418B, GLY418D, GLY419B, GLY419D, HIS159B, HIS159D, HIS263B, HIS263D, ILE269B, ILE269D, ILE369B, ILE369D, LEU155B, LEU155D, LEU271B, LEU271D, LEU272B, LEU272D, LEU275B, LEU275D, LEU319B, LEU319D, LEU377B, LEU377D, LEU423B, LYS276B, LYS276D, LYS295B, LYS295D, LYS367B, LYS367D, LYS415B, LYS415D, MET278B, MET278D, MET292B, MET299B, MET299D, MET316B, MET316D, MET380B, MET380D, PHE157B, PHE157D, PHE160B, PHE160D, PHE282B, PHE282D, PHE379B, PHE379D, PRO162B, PRO162D, PRO293B, PRO293D, PRO298B, PRO298D, PRO366B, PRO366D, PRO378B, PRO378D, SER323B, SER323D, SER407B, SER407D, SER412B, SER412D, THR158B, THR158D, THR267B, THR267D, THR313B, THR313D, THR382B, TRP326B, TRP326D, TYR294B, TYR294D, TYR365B, TYR365D, VAL315B, VAL315D, VAL324B, VAL324D, VAL363B, VAL363D, VAL364B, VAL364D, VAL368B, VAL368D, VAL413B, VAL413D, VAL414B, VAL414D
• C-D: ALA146C, ALA146D, ALA163C, ALA163D, ALA206C, ALA206D, ALA235C, ALA235D, ALA256C, ALA256D, ALA260C, ALA260D, ALA273C, ALA273D, ALA308C, ALA308D, ALA322C, ALA322D, ALA453C, ALA453D, ARG171C, ARG171D, ARG188C, ARG188D, ARG194C, ARG194D, ARG234C, ARG234D, ARG245C, ARG245D, ARG270C, ARG270D, ARG309C, ARG309D, ARG329C, ARG329D, ARG396C, ARG396D, ARG452C, ARG452D, ARG459C, ARG459D, ASN185C, ASN185D, ASN274C, ASN274D, ASN384C, ASN384D, ASP178C, ASP178D, ASP182C, ASP182D, ASP192C, ASP192D, ASP215C, ASP215D, ASP216C, ASP216D, ASP223C, ASP223D, ASP248C, ASP248D, ASP268C, ASP268D, ASP332C, ASP332D, CYS172C, CYS172D, CYS173C, CYS173D, CYS180C, CYS180D, CYS266C, CYS266D, CYS305C, CYS305D, GLN161C, GLN161D, GLN164C, GLN164D, GLN177C, GLN177D, GLN184C, GLN184D, GLN205C, GLN205D, GLN210C, GLN210D, GLN221C, GLN221D, GLN241C, GLN241D, GLN320C, GLN320D, GLN325C, GLN325D, GLN455C, GLN455D, GLN456C, GLN456D, GLN458C, GLN458D, GLU220C, GLU220D, GLU250C, GLU250D, GLU277C, GLU277D, GLU328C, GLU328D, GLU383C, GLU383D, GLU462C, GLU462D, GLU463C, GLU463D, GLU464C, GLU464D, GLY156C, GLY156D, GLY169C, GLY169D, GLY200C, GLY200D, GLY203C, GLY203D, GLY214C, GLY214D, GLY240C, GLY240D, GLY259C, GLY259D, GLY451C, GLY451D, HIS159C, HIS159D, HIS217C, HIS217D, HIS263C, HIS263D, HIS310C, HIS310D, HIS86C, HIS86D, ILE176C, ILE176D, ILE237C, ILE237D, ILE238C, ILE238D, ILE249C, ILE249D, ILE265C, ILE265D, ILE269C, ILE269D, LEU135C, LEU135D, LEU155C, LEU155D, LEU165C, LEU165D, LEU174C, LEU174D, LEU179C, LEU179D, LEU183C, LEU183D, LEU186C, LEU186D, LEU193C, LEU193D, LEU209C, LEU209D, LEU211C, LEU211D, LEU252C, LEU252D, LEU255C, LEU255D, LEU258C, LEU258D, LEU271C, LEU271D, LEU272C, LEU272D, LEU275C, LEU275D, LEU311C, LEU311D, LEU314C, LEU314D, LEU319C, LEU319D, LEU331C, LEU331D, LEU461C, LEU461D, LEU468C, LEU468D, LYS170C, LYS170D, LYS199C, LYS199D, LYS218C, LYS218D, LYS224C, LYS224D, LYS246C, LYS246D, LYS264C, LYS264D, MET181C, MET181D, MET278C, MET278D, MET312C, MET312D, MET316C, MET316D, MET380C, MET380D, MET387C, MET387D, PHE157C, PHE157D, PHE160C, PHE160D, PHE208C, PHE208D, PHE212C, PHE212D, PHE236C, PHE236D, PHE327C, PHE327D, PHE449C, PHE449D, PHE460C, PHE460D, PRO162C, PRO162D, PRO318C, PRO318D, PRO467C, PRO467D, SER112C, SER207C, SER207D, SER253C, SER253D, SER257C, SER257D, SER261C, SER261D, SER323C, SER323D, SER334D, SER447C, SER447D, SER448C, SER448D, SER454C, SER454D, THR111C, THR111D, THR154C, THR154D, THR158C, THR158D, THR166C, THR166D, THR167C, THR167D, THR201C, THR201D, THR202C, THR202D, THR204C, THR204D, THR239C, THR239D, THR242C, THR242D, THR244C, THR244D, THR267C, THR267D, THR313C, THR313D, THR321C, THR321D, THR330C, THR330D, THR450C, THR450D, TRP175C, TRP175D, TRP326C, TRP326D, TYR243C, TYR243D, VAL189C, VAL189D, VAL198C, VAL198D, VAL219C, VAL219D, VAL247C, VAL247D, VAL254C, VAL254D, VAL262C, VAL262D, VAL315C, VAL315D, VAL324C, VAL324D, VAL457C, VAL457D, VAL465C, VAL465D