3B60

crystal structure of msba from salmonella typhimurium with amppnp, higher resolution form

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 612
  • Norm. En. per Res.: -2.6077
• Hub Node: A(2)

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	-93.0038	-41.9323	-1460.99	-1595.9261	612	256	45	75086	13	166	147
A-C	0.0	0.0	-2.9753	-2.9753	5	0	0	149	0	0	0
B-C	0.0	0.0	-0.123	-0.123	6	0	0	43	0	3	3
C-D	-84.8025	-5.3692	-1425.39	-1515.5617	612	260	42	74876	10	169	147

Interface residues

• A-B: ALA114A, ALA114B, ALA207A, ALA207B, ALA247A, ALA247B, ALA259A, ALA259B, ALA262A, ALA262B, ALA264A, ALA264B, ALA269A, ALA269B, ALA270A, ALA270B, ALA281A, ALA281B, ALA293A, ALA293B, ALA413A, ALA413B, ALA420A, ALA420B, ALA438A, ALA438B, ALA440A, ALA440B, ALA490A, ALA490B, ALA494A, ALA494B, ALA510A, ALA510B, ALA518A, ALA518B, ALA521A, ALA536A, ALA536B, ALA573A, ALA573B, ARG101A, ARG101B, ARG102A, ARG102B, ARG103A, ARG103B, ARG127A, ARG229A, ARG229B, ARG238A, ARG238B, ARG310A, ARG310B, ARG354A, ARG354B, ARG377A, ARG377B, ARG391A, ARG391B, ARG416A, ARG416B, ARG441A, ARG441B, ARG486A, ARG486B, ARG488A, ARG488B, ARG493A, ARG493B, ARG497A, ARG497B, ARG517A, ARG517B, ARG538A, ARG538B, ARG61A, ARG61B, ARG78A, ARG78B, ASN235A, ASN235B, ASN303A, ASN303B, ASN37A, ASN37B, ASN417A, ASN417B, ASN425A, ASN425B, ASN430A, ASN430B, ASN435A, ASN435B, ASN436A, ASN436B, ASN477A, ASN477B, ASP117A, ASP117B, ASP231A, ASP231B, ASP252A, ASP252B, ASP277A, ASP277B, ASP431A, ASP431B, ASP461A, ASP461B, ASP467A, ASP467B, ASP505A, ASP505B, ASP512A, ASP512B, ASP53A, ASP53B, ASP54A, ASP54B, ASP553A, ASP553B, ASP60A, ASP60B, CYS88A, CYS88B, GLN119A, GLN119B, GLN202A, GLN202B, GLN209A, GLN209B, GLN223A, GLN223B, GLN240A, GLN240B, GLN256A, GLN256B, GLN418A, GLN418B, GLN424A, GLN424B, GLN485A, GLN485B, GLN487A, GLN487B, GLN520A, GLN544A, GLN544B, GLN574A, GLN574B, GLN579A, GLN579B, GLU133A, GLU133B, GLU208A, GLU208B, GLU216A, GLU216B, GLU224A, GLU224B, GLU226A, GLU226B, GLU327A, GLU327B, GLU355A, GLU355B, GLU443A, GLU443B, GLU444A, GLU444B, GLU476A, GLU476B, GLU506A, GLU506B, GLU514A, GLU514B, GLU516A, GLU516B, GLU543A, GLU543B, GLU552A, GLU552B, GLY106A, GLY106B, GLY110A, GLY110B, GLY122A, GLY122B, GLY201A, GLY201B, GLY213A, GLY213B, GLY221A, GLY221B, GLY222A, GLY222B, GLY241A, GLY241B, GLY282A, GLY282B, GLY376A, GLY376B, GLY379A, GLY379B, GLY381A, GLY381B, GLY475A, GLY475B, GLY478A, GLY478B, GLY483A, GLY483B, GLY484A, GLY484B, GLY554A, GLY554B, GLY55A, GLY55B, GLY57A, GLY57B, GLY581A, GLY581B, GLY79A, GLY79B, GLY94A, GLY94B, HIS107A, HIS107B, HIS214A, HIS214B, HIS427A, HIS427B, HIS537A, HIS537B, HIS576A, HIS576B, ILE128A, ILE128B, ILE219A, ILE219B, ILE250A, ILE250B, ILE254A, ILE254B, ILE255A, ILE255B, ILE258A, ILE258B, ILE284A, ILE284B, ILE292A, ILE292B, ILE437A, ILE437B, ILE473A, ILE473B, ILE474A, ILE474B, ILE503A, ILE503B, ILE535A, ILE535B, ILE72A, ILE72B, ILE76A, ILE76B, ILE80A, ILE80B, ILE84A, ILE84B, ILE89A, ILE89B, LEU104A, LEU104B, LEU124A, LEU124B, LEU125A, LEU125B, LEU211A, LEU211B, LEU218A, LEU218B, LEU239A, LEU239B, LEU257A, LEU257B, LEU261A, LEU261B, LEU263A, LEU263B, LEU267A, LEU267B, LEU279A, LEU279B, LEU412A, LEU412B, LEU415A, LEU415B, LEU421A, LEU421B, LEU428A, LEU428B, LEU45A, LEU45B, LEU47A, LEU47B, LEU480A, LEU480B, LEU481A, LEU481B, LEU48A, LEU48B, LEU511A, LEU511B, LEU51A, LEU51B, LEU52A, LEU52B, LEU539A, LEU539B, LEU575A, LEU575B, LEU64A, LEU64B, LEU65A, LEU65B, LEU69A, LEU69B, LEU74A, LEU74B, LEU77A, LEU77B, LYS118A, LYS118B, LYS212A, LYS212B, LYS215A, LYS215B, LYS228A, LYS228B, LYS232A, LYS232B, LYS236A, LYS236B, LYS243A, LYS243B, LYS299A, LYS299B, LYS328A, LYS328B, LYS382A, LYS382B, LYS465A, LYS465B, LYS49A, LYS49B, LYS577A, LYS577B, LYS58A, LYS58B, LYS95A, LYS95B, MET100A, MET100B, MET108A, MET108B, MET109A, MET109B, MET111A, MET111B, MET196A, MET196B, MET200A, MET200B, MET210A, MET210B, MET237A, MET237B, MET242A, MET242B, MET244A, MET244B, MET276A, MET276B, MET291A, MET291B, MET295A, MET295B, MET44A, MET44B, MET466A, MET466B, MET578A, MET578B, MET67A, MET67B, MET75A, MET75B, MET98A, MET98B, PHE105A, PHE105B, PHE115A, PHE115B, PHE116A, PHE116B, PHE220A, PHE220B, PHE230A, PHE230B, PHE23A, PHE23B, PHE265A, PHE265B, PHE272A, PHE272B, PHE288A, PHE288B, PHE392A, PHE392B, PHE429A, PHE429B, PHE462A, PHE462B, PHE56A, PHE56B, PHE580A, PHE580B, PRO112A, PRO112B, PRO253A, PRO253B, PRO273A, PRO273B, PRO352A, PRO352B, PRO50A, PRO50B, PRO68A, PRO68B, SER120A, SER120B, SER126A, SER126B, SER132A, SER132B, SER206A, SER206B, SER234A, SER234B, SER246A, SER246B, SER248A, SER248B, SER249A, SER249B, SER251A, SER251B, SER260A, SER260B, SER271A, SER271B, SER274A, SER274B, SER278A, SER278B, SER289A, SER289B, SER290A, SER290B, SER378A, SER378B, SER380A, SER380B, SER383A, SER383B, SER387A, SER387B, SER414A, SER414B, SER423A, SER423B, SER482A, SER482B, SER499B, SER509A, SER509B, SER515A, SER515B, SER540A, SER540B, SER62A, SER62B, SER82A, SER82B, SER85A, SER85B, SER86A, SER86B, SER90A, SER90B, SER93A, SER93B, THR121A, THR121B, THR123A, THR123B, THR129A, THR129B, THR199A, THR199B, THR204A, THR204B, THR205A, THR205B, THR227A, THR227B, THR280A, THR280B, THR283A, THR283B, THR285A, THR285B, THR384A, THR384B, THR390A, THR390B, THR442A, THR442B, THR508A, THR508B, THR513A, THR513B, THR541A, THR541B, THR59A, THR59B, THR81A, THR81B, THR99A, THR99B, TRP66A, TRP66B, TRP91A, TRP91B, TYR130A, TYR130B, TYR268A, TYR268B, TYR351A, TYR351B, TYR393A, TYR393B, TYR439A, TYR439B, TYR458A, TYR458B, TYR572A, TYR572B, TYR83A, TYR83B, TYR87A, TYR87B, VAL113A, VAL113B, VAL203A, VAL203B, VAL217A, VAL217B, VAL225A, VAL225B, VAL233A, VAL233B, VAL245A, VAL245B, VAL266A, VAL266B, VAL275A, VAL275B, VAL286A, VAL286B, VAL287A, VAL287B, VAL356A, VAL356B, VAL375A, VAL375B, VAL419A, VAL419B, VAL422A, VAL422B, VAL426A, VAL426B, VAL479A, VAL479B, VAL551A, VAL551B, VAL571A, VAL571B, VAL63A, VAL63B, VAL70A, VAL70B, VAL71A, VAL71B, VAL92A, VAL92B, VAL96A, VAL96B, VAL97A, VAL97B
• A-C: ARG337C, ASP336C, ILE335C, PHE272A, TYR268A
• B-C: ARG337C, ASP336C, ASP60B, ILE335C, LEU64B, LEU65B
• C-D: ALA114C, ALA114D, ALA207C, ALA207D, ALA247C, ALA247D, ALA259C, ALA259D, ALA262C, ALA262D, ALA264C, ALA264D, ALA269C, ALA269D, ALA270C, ALA270D, ALA281C, ALA281D, ALA293C, ALA293D, ALA413C, ALA413D, ALA420C, ALA420D, ALA438C, ALA438D, ALA440C, ALA440D, ALA490C, ALA490D, ALA494C, ALA494D, ALA510C, ALA510D, ALA518C, ALA518D, ALA536C, ALA536D, ALA573C, ALA573D, ARG101C, ARG101D, ARG102C, ARG102D, ARG103C, ARG103D, ARG127D, ARG229C, ARG229D, ARG238C, ARG238D, ARG310C, ARG310D, ARG354C, ARG354D, ARG377C, ARG377D, ARG391C, ARG391D, ARG416C, ARG416D, ARG441C, ARG441D, ARG486C, ARG486D, ARG488C, ARG488D, ARG493C, ARG493D, ARG497C, ARG497D, ARG517C, ARG517D, ARG538C, ARG538D, ARG61C, ARG61D, ARG78C, ARG78D, ASN235C, ASN235D, ASN303C, ASN303D, ASN37C, ASN37D, ASN417C, ASN417D, ASN425C, ASN425D, ASN430C, ASN430D, ASN435C, ASN435D, ASN436C, ASN436D, ASN477C, ASN477D, ASP117C, ASP117D, ASP231C, ASP231D, ASP252C, ASP252D, ASP277C, ASP277D, ASP431C, ASP431D, ASP461C, ASP461D, ASP467C, ASP467D, ASP505C, ASP505D, ASP512C, ASP512D, ASP53C, ASP53D, ASP54C, ASP54D, ASP553C, ASP553D, ASP60C, ASP60D, CYS88C, CYS88D, GLN119C, GLN119D, GLN202C, GLN202D, GLN209C, GLN209D, GLN223C, GLN223D, GLN240C, GLN240D, GLN256C, GLN256D, GLN418C, GLN418D, GLN424C, GLN424D, GLN485C, GLN485D, GLN487C, GLN487D, GLN520D, GLN544C, GLN544D, GLN574C, GLN574D, GLN579C, GLN579D, GLU133C, GLU133D, GLU208C, GLU208D, GLU216C, GLU216D, GLU224C, GLU224D, GLU226C, GLU226D, GLU327C, GLU327D, GLU355C, GLU355D, GLU443C, GLU443D, GLU444C, GLU444D, GLU476C, GLU476D, GLU506C, GLU506D, GLU514C, GLU514D, GLU516C, GLU516D, GLU543C, GLU543D, GLU552C, GLU552D, GLY106C, GLY106D, GLY110C, GLY110D, GLY122C, GLY122D, GLY201C, GLY201D, GLY213C, GLY213D, GLY221C, GLY221D, GLY222C, GLY222D, GLY241C, GLY241D, GLY282C, GLY282D, GLY376C, GLY376D, GLY379C, GLY379D, GLY381C, GLY381D, GLY475C, GLY475D, GLY478C, GLY478D, GLY483C, GLY483D, GLY484C, GLY484D, GLY554C, GLY554D, GLY55C, GLY55D, GLY57C, GLY57D, GLY581C, GLY581D, GLY79C, GLY79D, GLY94C, GLY94D, HIS107C, HIS107D, HIS214C, HIS214D, HIS427C, HIS427D, HIS537C, HIS537D, HIS562C, HIS562D, HIS576C, HIS576D, ILE128C, ILE128D, ILE219C, ILE219D, ILE250C, ILE250D, ILE254C, ILE254D, ILE255C, ILE255D, ILE258C, ILE258D, ILE284C, ILE284D, ILE292C, ILE292D, ILE437C, ILE437D, ILE473C, ILE473D, ILE474C, ILE474D, ILE503C, ILE503D, ILE519C, ILE535C, ILE535D, ILE72C, ILE72D, ILE76C, ILE76D, ILE80C, ILE80D, ILE84C, ILE84D, ILE89C, ILE89D, LEU104C, LEU104D, LEU124C, LEU124D, LEU125C, LEU125D, LEU211C, LEU211D, LEU218C, LEU218D, LEU239C, LEU239D, LEU257C, LEU257D, LEU261C, LEU261D, LEU263C, LEU263D, LEU267C, LEU267D, LEU279C, LEU279D, LEU412C, LEU412D, LEU415C, LEU415D, LEU421C, LEU421D, LEU428C, LEU428D, LEU45C, LEU45D, LEU47C, LEU47D, LEU480C, LEU480D, LEU481C, LEU481D, LEU48C, LEU48D, LEU502C, LEU511C, LEU511D, LEU51C, LEU51D, LEU52C, LEU52D, LEU539C, LEU539D, LEU575C, LEU575D, LEU64C, LEU64D, LEU65C, LEU65D, LEU69C, LEU69D, LEU74C, LEU74D, LEU77C, LEU77D, LYS118C, LYS118D, LYS212C, LYS212D, LYS215C, LYS215D, LYS228C, LYS228D, LYS232C, LYS232D, LYS236C, LYS236D, LYS299C, LYS299D, LYS328C, LYS328D, LYS382C, LYS382D, LYS465C, LYS465D, LYS49C, LYS49D, LYS577C, LYS577D, LYS58C, LYS58D, LYS95C, LYS95D, MET100C, MET100D, MET108C, MET108D, MET109C, MET109D, MET111C, MET111D, MET196C, MET196D, MET200C, MET200D, MET210C, MET210D, MET237C, MET237D, MET242C, MET242D, MET244C, MET276C, MET276D, MET291C, MET291D, MET295C, MET295D, MET44C, MET44D, MET466C, MET466D, MET578C, MET578D, MET67C, MET67D, MET75C, MET75D, MET98C, MET98D, PHE105C, PHE105D, PHE115C, PHE115D, PHE116C, PHE116D, PHE220C, PHE220D, PHE230C, PHE230D, PHE23C, PHE23D, PHE265C, PHE265D, PHE272C, PHE272D, PHE288C, PHE288D, PHE392C, PHE392D, PHE429C, PHE429D, PHE462C, PHE462D, PHE56C, PHE56D, PHE580C, PHE580D, PRO112C, PRO112D, PRO253C, PRO253D, PRO273C, PRO273D, PRO352C, PRO352D, PRO50C, PRO50D, PRO68C, PRO68D, SER120C, SER120D, SER126C, SER126D, SER132C, SER132D, SER206C, SER206D, SER234C, SER234D, SER246C, SER246D, SER248C, SER248D, SER249C, SER249D, SER251C, SER251D, SER260C, SER260D, SER271C, SER271D, SER274C, SER274D, SER278C, SER278D, SER289C, SER289D, SER290C, SER290D, SER378C, SER378D, SER380C, SER380D, SER383C, SER383D, SER387C, SER387D, SER414C, SER414D, SER423C, SER423D, SER482C, SER482D, SER499D, SER509C, SER509D, SER515C, SER515D, SER540C, SER540D, SER62C, SER62D, SER82C, SER82D, SER85C, SER85D, SER86C, SER86D, SER90C, SER90D, SER93C, SER93D, THR121C, THR121D, THR123C, THR123D, THR129C, THR129D, THR199C, THR199D, THR204C, THR204D, THR205C, THR205D, THR227C, THR227D, THR280C, THR280D, THR283C, THR283D, THR285C, THR285D, THR384C, THR384D, THR390C, THR390D, THR442C, THR442D, THR508C, THR508D, THR513C, THR513D, THR541C, THR541D, THR59C, THR59D, THR81C, THR81D, THR99C, THR99D, TRP66C, TRP66D, TRP91C, TRP91D, TYR130C, TYR130D, TYR268C, TYR268D, TYR351C, TYR351D, TYR393C, TYR393D, TYR439C, TYR439D, TYR458C, TYR458D, TYR572C, TYR572D, TYR83C, TYR83D, TYR87C, TYR87D, VAL113C, VAL113D, VAL203C, VAL203D, VAL217C, VAL217D, VAL225C, VAL225D, VAL233C, VAL233D, VAL245C, VAL245D, VAL266C, VAL266D, VAL275C, VAL275D, VAL286C, VAL286D, VAL287C, VAL287D, VAL356C, VAL356D, VAL375C, VAL375D, VAL419C, VAL419D, VAL422C, VAL422D, VAL426C, VAL426D, VAL479C, VAL479D, VAL551C, VAL551D, VAL571C, VAL571D, VAL63C, VAL63D, VAL70C, VAL70D, VAL71C, VAL71D, VAL92C, VAL92D, VAL96C, VAL96D, VAL97C, VAL97D