3PVS

structure and biochemical activities of escherichia coli mgsa

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 285
  • Norm. En. per Res.: -4.2071
• 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	-9.1602	0.0	-40.8074	-49.9676	38	1	0	1414	0	11	9
A-C	-127.305	-236.7162	-813.61	-1177.6312	289	32	27	33154	20	119	104
A-D	-106.7976	-162.2245	-774.064	-1043.0861	284	24	27	32590	15	113	98
B-C	-108.8702	-197.3973	-885.985	-1192.2525	289	36	27	33906	20	116	107
B-D	-176.5671	-176.2522	-846.198	-1199.0174	285	38	27	33046	18	117	105
C-D	-4.6372	0.0	-39.9811	-44.6183	31	1	0	1251	0	10	10

Interface residues

• A-B: ALA316A, ALA375A, ALA375B, ARG230A, ARG230B, ARG309A, ARG309B, ARG323B, ARG373A, ARG373B, ASN374A, ASN374B, ASP189A, ASP225A, ASP225B, ASP226A, ASP226B, GLN312A, GLN312B, GLY228A, GLY228B, ILE315A, LEU372A, LEU372B, LYS229A, LYS229B, LYS233A, PRO376B, SER227A, SER227B, TYR389A, TYR389B, TYR391A, TYR391B, VAL191A, VAL191B, VAL231A, VAL231B
• A-C: ALA104C, ALA222A, ALA246A, ALA261A, ALA261C, ALA26A, ALA270A, ALA273A, ALA274A, ALA279A, ALA284A, ALA292C, ALA297C, ALA299C, ALA306C, ALA310A, ALA310C, ALA314A, ALA314C, ALA316A, ALA316C, ALA317A, ALA317C, ALA327A, ALA332A, ALA334A, ALA336A, ALA341A, ALA343A, ALA348A, ALA348C, ALA352C, ALA355C, ALA356C, ALA358C, ALA360C, ALA375C, ALA37A, ALA392C, ALA396C, ALA398C, ALA400C, ALA401C, ALA411C, ALA44A, ALA47A, ALA71A, ALA74A, ALA76A, ALA94C, ALA98C, ARG102C, ARG107A, ARG183A, ARG230A, ARG254A, ARG254C, ARG267A, ARG267C, ARG280A, ARG293C, ARG294C, ARG309A, ARG309C, ARG323A, ARG323C, ARG331A, ARG361C, ARG363C, ARG373C, ARG390C, ARG414C, ARG421A, ARG43A, ARG72A, ARG92C, ARG97C, ARG99C, ASN101C, ASN103C, ASN24A, ASN250C, ASN305C, ASN347A, ASN347C, ASN374C, ASN397C, ASN420A, ASN75A, ASP180A, ASP189A, ASP220A, ASP225A, ASP226A, ASP249C, ASP253A, ASP253C, ASP257A, ASP257C, ASP272A, ASP302A, ASP302C, ASP307A, ASP307C, ASP319A, ASP319C, ASP359C, ASP365C, ASP367C, ASP394C, ASP438C, CYS295C, CYS320A, CYS320C, CYS342A, GLN100C, GLN172A, GLN176A, GLN188A, GLN27A, GLN312A, GLN312C, GLN32A, GLN335A, GLN412C, GLU179A, GLU223A, GLU239A, GLU23A, GLU243A, GLU301A, GLU301C, GLU328A, GLU330A, GLU362C, GLU395C, GLU403C, GLU409C, GLU424C, GLU46A, GLU68A, GLU79C, GLU90C, GLU93C, GLU96C, GLY105C, GLY186A, GLY187A, GLY228A, GLY252C, GLY268A, GLY304A, GLY304C, GLY325A, GLY329A, GLY38A, GLY422A, GLY428C, GLY48A, HIS129C, HIS263A, HIS263C, HIS371C, HIS393C, HIS49A, ILE190A, ILE240A, ILE259A, ILE259C, ILE281A, ILE282A, ILE298A, ILE298C, ILE29A, ILE315A, ILE315C, ILE333A, ILE337A, ILE410C, ILE427C, ILE45A, ILE70A, ILE91C, ILE95C, LEU236A, LEU258A, LEU258C, LEU25A, LEU262A, LEU262C, LEU275A, LEU289C, LEU296C, LEU340A, LEU357C, LEU372C, LEU423C, LEU431C, LEU434C, LYS181A, LYS229A, LYS251C, LYS264A, LYS264C, LYS345A, LYS354A, LYS354C, LYS426C, LYS430C, LYS89C, MET217A, MET221A, MET311A, MET311C, PHE248C, PHE255A, PHE255C, PHE321A, PHE321C, PHE353C, PHE406C, PHE417C, PRO22A, PRO271A, PRO288A, PRO308C, PRO326A, PRO344A, PRO364C, PRO369C, PRO376C, PRO407C, PRO408C, PRO418C, PRO42A, SER227A, SER245A, SER260A, SER260C, SER265A, SER269A, SER300C, SER346A, SER346C, THR175A, THR283A, THR322A, THR322C, THR351A, THR351C, THR413C, THR419A, TRP277A, TRP318A, TRP318C, TRP433C, TYR256A, TYR256C, TYR276A, TYR278A, TYR28A, TYR290C, TYR339A, TYR350A, TYR350C, TYR366C, TYR389C, TYR391C, TYR399C, TYR405C, TYR415C, TYR416C, TYR446C, TYR73A, VAL191A, VAL224A, VAL266A, VAL303A, VAL303C, VAL313A, VAL313C, VAL324A, VAL338A, VAL349C, VAL368C, VAL370C, VAL404C, VAL69A, VAL88C
• A-D: ALA104A, ALA222D, ALA261A, ALA261D, ALA26D, ALA270D, ALA273D, ALA274D, ALA279D, ALA284D, ALA292A, ALA297A, ALA299A, ALA306A, ALA306D, ALA310A, ALA310D, ALA314A, ALA314D, ALA316A, ALA316D, ALA317A, ALA317D, ALA327D, ALA332D, ALA334D, ALA336D, ALA341D, ALA343D, ALA348A, ALA348D, ALA352A, ALA355A, ALA356A, ALA358A, ALA360A, ALA375A, ALA37D, ALA392A, ALA396A, ALA398A, ALA400A, ALA401A, ALA411A, ALA44D, ALA47D, ALA71D, ALA74D, ALA76D, ALA94A, ALA98A, ARG102A, ARG106A, ARG106D, ARG107D, ARG183D, ARG230D, ARG254D, ARG267A, ARG267D, ARG280D, ARG293A, ARG294A, ARG309A, ARG309D, ARG323A, ARG323D, ARG331D, ARG361A, ARG363A, ARG373A, ARG390A, ARG414A, ARG421D, ARG43D, ARG72D, ARG92A, ARG97A, ARG99A, ASN101A, ASN103A, ASN24D, ASN305A, ASN347A, ASN347D, ASN374A, ASN397A, ASN420D, ASN75D, ASP189D, ASP220D, ASP225D, ASP226D, ASP253A, ASP253D, ASP257A, ASP257D, ASP272D, ASP302A, ASP302D, ASP307A, ASP319A, ASP319D, ASP359A, ASP365A, ASP367A, ASP394A, ASP438A, CYS295A, CYS320A, CYS320D, CYS342D, GLN100A, GLN172D, GLN176D, GLN188D, GLN27D, GLN312A, GLN312D, GLN335D, GLN412A, GLU179D, GLU223D, GLU239D, GLU23D, GLU301A, GLU301D, GLU328D, GLU330D, GLU362A, GLU388A, GLU395A, GLU403A, GLU424A, GLU46D, GLU68D, GLU79A, GLU90A, GLU93A, GLU96A, GLY105A, GLY187D, GLY228D, GLY252A, GLY268D, GLY304A, GLY304D, GLY325D, GLY329D, GLY422D, GLY428A, GLY48D, HIS129A, HIS263A, HIS263D, HIS371A, HIS393A, HIS49D, ILE190D, ILE240D, ILE259A, ILE259D, ILE281D, ILE282D, ILE298A, ILE298D, ILE29D, ILE315A, ILE315D, ILE333D, ILE337D, ILE410A, ILE427A, ILE45D, ILE70D, ILE91A, ILE95A, LEU236D, LEU258A, LEU258D, LEU25D, LEU262A, LEU262D, LEU275D, LEU289A, LEU296A, LEU340D, LEU357A, LEU372A, LEU423A, LEU431A, LEU434A, LYS181D, LYS229D, LYS251A, LYS264A, LYS264D, LYS345D, LYS354A, LYS354D, LYS426A, LYS430A, LYS89A, MET217D, MET221D, MET311A, MET311D, PHE255A, PHE255D, PHE321A, PHE321D, PHE353A, PHE406A, PHE417A, PRO22D, PRO271D, PRO288D, PRO308A, PRO326D, PRO344D, PRO364A, PRO369A, PRO376A, PRO407A, PRO408A, PRO418A, PRO42D, SER227D, SER260A, SER260D, SER265A, SER265D, SER269D, SER300A, SER346A, SER346D, THR134A, THR175D, THR283D, THR322A, THR322D, THR351A, THR351D, THR377A, THR413A, THR419D, TRP277D, TRP318A, TRP318D, TRP433A, TYR256A, TYR256D, TYR276D, TYR278D, TYR28D, TYR290A, TYR339D, TYR350A, TYR350D, TYR366A, TYR389A, TYR391A, TYR399A, TYR405A, TYR415A, TYR416A, TYR446A, TYR73D, VAL173D, VAL191D, VAL224D, VAL266D, VAL303A, VAL303D, VAL313A, VAL313D, VAL324D, VAL338D, VAL349A, VAL368A, VAL370A, VAL404A, VAL69D, VAL88A
• B-C: ALA104B, ALA222C, ALA261B, ALA261C, ALA26C, ALA270C, ALA273C, ALA274C, ALA279C, ALA284C, ALA292B, ALA297B, ALA299B, ALA306B, ALA306C, ALA310B, ALA310C, ALA314B, ALA314C, ALA316B, ALA316C, ALA317B, ALA317C, ALA327C, ALA332C, ALA334C, ALA336C, ALA341C, ALA343C, ALA348B, ALA348C, ALA352B, ALA355B, ALA356B, ALA358B, ALA360B, ALA36C, ALA375B, ALA37C, ALA392B, ALA396B, ALA398B, ALA400B, ALA401B, ALA411B, ALA44C, ALA47C, ALA71C, ALA74C, ALA76C, ALA94B, ALA98B, ARG102B, ARG106B, ARG106C, ARG107C, ARG183C, ARG230C, ARG254C, ARG267B, ARG267C, ARG280C, ARG293B, ARG294B, ARG309B, ARG309C, ARG323B, ARG323C, ARG331C, ARG361B, ARG363B, ARG373B, ARG390B, ARG414B, ARG421C, ARG43C, ARG72C, ARG92B, ARG97B, ARG99B, ASN101B, ASN103B, ASN24C, ASN305B, ASN347B, ASN347C, ASN374B, ASN397B, ASN420C, ASN75C, ASP180C, ASP189C, ASP220C, ASP225C, ASP226C, ASP253B, ASP253C, ASP257B, ASP257C, ASP272C, ASP302B, ASP302C, ASP307B, ASP307C, ASP319B, ASP319C, ASP359B, ASP365B, ASP367B, ASP394B, ASP438B, CYS295B, CYS320B, CYS320C, CYS342C, GLN100B, GLN172C, GLN176C, GLN188C, GLN27C, GLN312B, GLN312C, GLN32C, GLN335C, GLN412B, GLU179C, GLU223C, GLU239C, GLU23C, GLU301B, GLU301C, GLU328C, GLU330C, GLU362B, GLU395B, GLU403B, GLU409B, GLU424B, GLU46C, GLU68C, GLU90B, GLU93B, GLU96B, GLY105B, GLY186C, GLY187C, GLY228C, GLY252B, GLY268C, GLY304B, GLY304C, GLY325C, GLY329C, GLY38C, GLY422C, GLY428B, GLY48C, HIS129B, HIS263B, HIS263C, HIS371B, HIS393B, HIS49C, ILE190C, ILE240C, ILE259B, ILE259C, ILE281C, ILE282C, ILE298B, ILE298C, ILE29C, ILE315B, ILE315C, ILE333C, ILE337C, ILE410B, ILE427B, ILE45C, ILE70C, ILE91B, ILE95B, LEU236C, LEU258B, LEU258C, LEU25C, LEU262B, LEU262C, LEU275C, LEU289B, LEU296B, LEU340C, LEU357B, LEU372B, LEU423B, LEU431B, LEU434B, LYS181C, LYS229C, LYS251B, LYS264B, LYS264C, LYS345C, LYS354B, LYS354C, LYS426B, LYS430B, LYS89B, MET217C, MET221C, MET311B, MET311C, PHE255B, PHE255C, PHE321B, PHE321C, PHE353B, PHE406B, PHE417B, PRO22C, PRO271C, PRO288C, PRO308B, PRO326C, PRO344C, PRO364B, PRO369B, PRO376B, PRO407B, PRO408B, PRO418B, PRO42C, SER227C, SER260B, SER260C, SER265B, SER265C, SER269C, SER300B, SER346B, SER346C, THR175C, THR182C, THR283C, THR322B, THR322C, THR351B, THR351C, THR413B, THR419C, THR85B, TRP277C, TRP318B, TRP318C, TRP433B, TYR256B, TYR256C, TYR276C, TYR278C, TYR28C, TYR290B, TYR339C, TYR350B, TYR350C, TYR366B, TYR389B, TYR391B, TYR399B, TYR405B, TYR415B, TYR416B, TYR446B, TYR73C, VAL173C, VAL191C, VAL224C, VAL266C, VAL303B, VAL303C, VAL313B, VAL313C, VAL324C, VAL338C, VAL349B, VAL368B, VAL370B, VAL404B, VAL69C, VAL88B
• B-D: ALA104D, ALA222B, ALA261B, ALA261D, ALA26B, ALA270B, ALA273B, ALA274B, ALA279B, ALA284B, ALA292D, ALA297D, ALA299D, ALA306D, ALA310B, ALA310D, ALA314B, ALA314D, ALA316B, ALA316D, ALA317B, ALA317D, ALA327B, ALA332B, ALA334B, ALA336B, ALA341B, ALA343B, ALA348B, ALA348D, ALA352D, ALA355D, ALA356D, ALA358D, ALA360D, ALA375D, ALA37B, ALA392D, ALA396D, ALA398D, ALA400D, ALA411D, ALA44B, ALA47B, ALA71B, ALA74B, ALA76B, ALA94D, ALA98D, ARG102D, ARG106D, ARG107B, ARG183B, ARG230B, ARG254B, ARG267B, ARG267D, ARG280B, ARG293D, ARG294D, ARG309B, ARG309D, ARG323B, ARG323D, ARG331B, ARG361D, ARG363D, ARG373D, ARG390D, ARG414D, ARG421B, ARG43B, ARG72B, ARG92D, ARG97D, ARG99D, ASN101D, ASN103D, ASN24B, ASN305D, ASN347B, ASN347D, ASN374D, ASN397D, ASN420B, ASN75B, ASP180B, ASP189B, ASP220B, ASP225B, ASP226B, ASP253B, ASP253D, ASP257B, ASP257D, ASP272B, ASP302B, ASP302D, ASP307D, ASP319B, ASP319D, ASP359D, ASP365D, ASP367D, ASP394D, ASP438D, CYS295D, CYS320B, CYS320D, CYS342B, GLN100D, GLN172B, GLN176B, GLN188B, GLN27B, GLN312B, GLN312D, GLN32B, GLN335B, GLU179B, GLU223B, GLU239B, GLU23B, GLU301B, GLU301D, GLU328B, GLU330B, GLU362D, GLU395D, GLU403D, GLU409D, GLU424D, GLU46B, GLU68B, GLU90D, GLU93D, GLU96D, GLY105D, GLY186B, GLY187B, GLY228B, GLY242B, GLY252D, GLY268B, GLY304B, GLY304D, GLY325B, GLY329B, GLY422B, GLY428D, GLY48B, HIS129D, HIS263B, HIS263D, HIS371D, HIS393D, HIS49B, ILE190B, ILE240B, ILE259B, ILE259D, ILE281B, ILE282B, ILE298B, ILE298D, ILE29B, ILE315B, ILE315D, ILE333B, ILE337B, ILE410D, ILE427D, ILE45B, ILE70B, ILE91D, ILE95D, LEU236B, LEU258B, LEU258D, LEU25B, LEU262B, LEU262D, LEU275B, LEU289D, LEU296D, LEU340B, LEU357D, LEU372D, LEU423D, LEU431D, LEU434D, LYS181B, LYS229B, LYS251D, LYS264B, LYS264D, LYS345B, LYS354B, LYS354D, LYS426D, LYS430D, LYS89D, MET217B, MET218B, MET221B, MET311B, MET311D, MET380D, PHE255B, PHE255D, PHE321B, PHE321D, PHE353D, PHE406D, PHE417D, PRO22B, PRO271B, PRO288B, PRO308D, PRO326B, PRO344B, PRO364D, PRO369D, PRO376D, PRO407D, PRO408D, PRO418D, PRO42B, SER227B, SER260B, SER260D, SER265B, SER265D, SER269B, SER300D, SER346B, SER346D, THR134D, THR175B, THR283B, THR322B, THR322D, THR351B, THR351D, THR377D, THR413D, THR419B, THR85D, TRP277B, TRP318B, TRP318D, TRP433D, TYR256B, TYR256D, TYR276B, TYR278B, TYR28B, TYR290D, TYR339B, TYR350B, TYR350D, TYR366D, TYR389D, TYR391D, TYR399D, TYR405D, TYR415D, TYR416D, TYR446D, TYR73B, VAL191B, VAL224B, VAL266B, VAL303B, VAL303D, VAL313B, VAL313D, VAL324B, VAL338B, VAL349D, VAL368D, VAL370D, VAL404D, VAL69B, VAL88D
• C-D: ALA375C, ALA375D, ARG230D, ARG309C, ARG373C, ARG373D, ASN374C, ASN374D, ASP225C, ASP225D, ASP226C, ASP226D, GLN312C, GLN312D, GLY228C, GLY228D, LEU372C, LEU372D, LYS229C, LYS229D, LYS233C, SER227C, SER227D, TYR389C, TYR389D, TYR391C, TYR391D, VAL191C, VAL224C, VAL231C, VAL231D