3MI6

crystal structure of the alpha-galactosidase from lactobacillus brevis, northeast structural genomics consortium target lbr11.

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 102
  • Norm. En. per Res.: -3.7178
• 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	-42.7094	-52.4105	-541.701	-636.8209	208	30	11	19031	4	40	32
A-C	-55.8653	-66.3047	-243.851	-366.021	102	20	2	10372	8	40	39
A-D	-108.2316	-94.4969	-706.356	-909.0846	269	43	8	30209	8	84	89
B-C	-125.4089	-67.1919	-682.737	-875.3379	275	37	8	29995	7	85	89
B-D	-55.8845	-72.8954	-250.438	-379.2179	102	17	2	10558	8	38	37
C-D	-50.2594	-40.044	-548.762	-639.0654	210	31	12	19429	4	40	39

Interface residues

• A-B: ALA246A, ALA246B, ALA303A, ALA303B, ALA57A, ALA57B, ALA677A, ALA677B, ALA710A, ALA710B, ALA71A, ARG208A, ARG208B, ARG237A, ARG237B, ARG39A, ARG39B, ARG55A, ARG55B, ARG681A, ARG681B, ARG688A, ARG688B, ARG692A, ARG692B, ASN190A, ASN190B, ASN48A, ASN48B, ASN676A, ASN676B, ASN67A, ASN67B, ASN690A, ASN690B, ASN709A, ASN709B, ASP188A, ASP188B, ASP242A, ASP242B, ASP265A, ASP265B, ASP56A, ASP56B, ASP648A, ASP698A, ASP698B, ASP705A, ASP705B, GLN15A, GLN15B, GLN239A, GLN239B, GLN244A, GLN244B, GLN266A, GLN266B, GLN33A, GLN33B, GLN43A, GLN43B, GLN47A, GLN47B, GLN52A, GLN52B, GLN691A, GLN691B, GLN69A, GLN69B, GLU243A, GLU243B, GLU53A, GLU53B, GLU647A, GLU647B, GLU706A, GLU706B, GLY245A, GLY245B, GLY304A, GLY37A, GLY37B, GLY704A, GLY704B, GLY711A, GLY711B, HIS13A, HIS13B, HIS18A, HIS18B, HIS41A, HIS41B, HIS674A, HIS674B, HIS741A, HIS742A, HIS743A, ILE22A, ILE22B, ILE34A, ILE34B, ILE40A, ILE40B, ILE695A, ILE695B, ILE717A, ILE717B, ILE73A, ILE73B, LEU186A, LEU186B, LEU49A, LEU49B, LEU707A, LEU707B, LEU718A, LEU718B, LYS74A, LYS74B, PHE682A, PHE682B, PHE684A, PHE684B, PHE68A, PHE68B, PHE713A, PHE713B, PRO187A, PRO187B, PRO238A, PRO238B, PRO38A, PRO38B, PRO44A, PRO44B, PRO675A, PRO675B, PRO678A, PRO678B, PRO689A, PRO689B, PRO699A, PRO699B, PRO715A, PRO715B, SER20A, SER20B, SER268A, SER268B, SER302A, SER302B, SER51A, SER51B, SER700A, SER700B, THR19A, THR19B, THR240A, THR240B, THR241A, THR241B, THR269A, THR269B, THR45A, THR45B, THR58A, THR58B, THR680A, THR680B, THR701A, THR701B, THR716A, THR716B, THR72A, THR72B, TRP54A, TRP54B, TYR191A, TYR191B, TYR267A, TYR267B, TYR300A, TYR300B, TYR35A, TYR35B, TYR36A, TYR36B, TYR46A, TYR46B, TYR679A, TYR679B, TYR683A, TYR683B, TYR693A, TYR693B, TYR702A, TYR702B, TYR703A, TYR703B, TYR712A, TYR712B, VAL42A, VAL42B, VAL646A, VAL646B, VAL714A, VAL714B
• A-C: ALA201A, ALA201C, ALA554A, ALA554C, ALA677A, ALA677C, ALA719A, ALA719C, ARG202A, ARG202C, ARG222C, ARG586A, ARG586C, ASN581A, ASN581C, ASN650A, ASN650C, ASN673A, ASN673C, ASN676A, ASN676C, ASP550A, ASP550C, ASP552A, ASP552C, ASP582A, ASP582C, ASP648A, ASP648C, ASP720A, ASP720C, ASP726A, ASP726C, GLN228A, GLN228C, GLN583A, GLN583C, GLN670A, GLN670C, GLN722A, GLN722C, GLU203A, GLU203C, GLU555A, GLU555C, GLU647A, GLU647C, GLU723A, GLU723C, GLY198A, GLY198C, GLY585A, GLY585C, GLY649A, GLY649C, GLY721A, GLY721C, HIS205A, HIS205C, HIS227A, HIS227C, HIS674A, HIS674C, ILE559A, ILE559C, ILE587A, ILE587C, ILE717A, ILE717C, LEU558A, LEU558C, LEU671A, LEU671C, LEU672A, LEU672C, LEU718A, LEU718C, LYS725A, LYS725C, PHE727A, PHE727C, PRO580A, PRO580C, PRO675A, PRO675C, PRO678A, PRO678C, SER548A, SER548C, SER724A, SER724C, THR199A, THR199C, THR551A, THR551C, THR588A, THR588C, TRP200A, TRP200C, TYR679C, VAL579A, VAL579C
• A-D: ALA201A, ALA201D, ALA261A, ALA261D, ALA435A, ALA435D, ALA484A, ALA484D, ALA528A, ALA528D, ALA57A, ALA57D, ALA71A, ALA71D, ALA95A, ALA95D, ARG141A, ARG141D, ARG178A, ARG178D, ARG202A, ARG202D, ARG208A, ARG208D, ARG212A, ARG212D, ARG222A, ARG222D, ARG444A, ARG444D, ARG482A, ARG482D, ARG55A, ARG55D, ARG86A, ARG86D, ARG99A, ARG99D, ASN177A, ASN177D, ASN257A, ASN257D, ASN277A, ASN277D, ASN481A, ASN481D, ASN62A, ASN62D, ASN65A, ASN65D, ASN67A, ASN67D, ASN96A, ASN96D, ASP140A, ASP140D, ASP260A, ASP260D, ASP265A, ASP265D, ASP279A, ASP279D, ASP377A, ASP377D, ASP495A, ASP495D, ASP549A, ASP549D, ASP56A, ASP56D, ASP84A, ASP84D, GLN195A, GLN195D, GLN216A, GLN216D, GLN228A, GLN228D, GLN229A, GLN229D, GLN266A, GLN266D, GLN446A, GLN446D, GLN496A, GLN496D, GLN497A, GLN497D, GLN583A, GLN583D, GLN69A, GLN69D, GLN87A, GLN87D, GLN91A, GLN91D, GLN94A, GLN94D, GLU102A, GLU102D, GLU172A, GLU172D, GLU263A, GLU263D, GLU280A, GLU280D, GLU486A, GLU486D, GLU499A, GLU499D, GLU63A, GLU63D, GLU64A, GLU64D, GLY198A, GLY198D, GLY214A, GLY214D, GLY443A, GLY443D, GLY530D, GLY532A, GLY532D, GLY81A, GLY81D, GLY83A, GLY83D, GLY97A, GLY97D, HIS205A, HIS205D, HIS209A, HIS209D, HIS227A, HIS227D, HIS434A, HIS434D, HIS445A, HIS445D, ILE100A, ILE100D, ILE142A, ILE142D, ILE194A, ILE194D, ILE218A, ILE218D, ILE262A, ILE262D, LEU174D, LEU193A, LEU193D, LEU206A, LEU206D, LEU211A, LEU211D, LEU221A, LEU221D, LEU259A, LEU259D, LEU492A, LEU492D, LEU498A, LEU498D, LEU500A, LEU500D, LEU61A, LEU61D, LEU80A, LEU80D, LYS437A, LYS437D, LYS82A, LYS82D, PHE196A, PHE196D, PHE281A, PHE281D, PHE447A, PHE447D, PHE488A, PHE488D, PHE68A, PHE68D, PHE85A, PHE85D, PRO210A, PRO210D, PRO213A, PRO213D, PRO278A, PRO278D, PRO436A, PRO436D, PRO440A, PRO440D, PRO442A, PRO442D, PRO501A, PRO501D, PRO59A, PRO59D, PRO66A, PRO66D, PRO70A, PRO70D, PRO88A, PRO88D, SER197A, SER197D, SER217A, SER217D, SER219A, SER219D, SER220A, SER220D, SER226A, SER226D, SER268A, SER268D, SER419D, SER438A, SER438D, SER489A, SER489D, SER490A, SER490D, SER494A, SER494D, SER529A, SER529D, SER60A, SER60D, SER98A, SER98D, THR101A, THR101D, THR143A, THR143D, THR199A, THR199D, THR378A, THR378D, THR439A, THR439D, THR441A, THR441D, THR485A, THR485D, THR493A, THR493D, THR58A, THR58D, THR93A, THR93D, TRP200A, TRP200D, TRP54A, TRP54D, TYR207A, TYR207D, TYR267A, TYR267D, TYR483A, TYR483D, VAL264A, VAL264D, VAL420A, VAL420D
• B-C: ALA201B, ALA201C, ALA261B, ALA261C, ALA435B, ALA435C, ALA484B, ALA484C, ALA528B, ALA528C, ALA57B, ALA57C, ALA71B, ALA71C, ALA95B, ALA95C, ARG141B, ARG141C, ARG178B, ARG178C, ARG202B, ARG202C, ARG208B, ARG208C, ARG212B, ARG212C, ARG222B, ARG222C, ARG444B, ARG444C, ARG482B, ARG482C, ARG55B, ARG55C, ARG86B, ARG86C, ARG99B, ARG99C, ASN177B, ASN177C, ASN257B, ASN257C, ASN277B, ASN277C, ASN481B, ASN481C, ASN62B, ASN62C, ASN65B, ASN65C, ASN67C, ASN96B, ASN96C, ASP140B, ASP140C, ASP260B, ASP260C, ASP265B, ASP265C, ASP279B, ASP279C, ASP377B, ASP377C, ASP421C, ASP495B, ASP495C, ASP549B, ASP549C, ASP56B, ASP56C, ASP84B, ASP84C, GLN195B, GLN195C, GLN216B, GLN216C, GLN228B, GLN228C, GLN229B, GLN229C, GLN266B, GLN266C, GLN446B, GLN446C, GLN496B, GLN496C, GLN497B, GLN497C, GLN583B, GLN583C, GLN69B, GLN69C, GLN87B, GLN87C, GLN91B, GLN91C, GLN94B, GLN94C, GLU102B, GLU102C, GLU172B, GLU172C, GLU263B, GLU263C, GLU280B, GLU280C, GLU486B, GLU486C, GLU499B, GLU499C, GLU63B, GLU63C, GLU64B, GLU64C, GLY144B, GLY144C, GLY198B, GLY198C, GLY214B, GLY214C, GLY443B, GLY443C, GLY530B, GLY532B, GLY532C, GLY81B, GLY81C, GLY83B, GLY83C, GLY97B, GLY97C, HIS205B, HIS205C, HIS209B, HIS209C, HIS227B, HIS227C, HIS434B, HIS434C, HIS445B, HIS445C, ILE100B, ILE100C, ILE142B, ILE142C, ILE194B, ILE194C, ILE218B, ILE218C, ILE262B, ILE262C, ILE433B, LEU174B, LEU174C, LEU193B, LEU193C, LEU206B, LEU206C, LEU211B, LEU211C, LEU221B, LEU221C, LEU259B, LEU259C, LEU492B, LEU492C, LEU498B, LEU498C, LEU500B, LEU500C, LEU61B, LEU61C, LEU80B, LEU80C, LYS437B, LYS437C, LYS82B, LYS82C, PHE196B, PHE196C, PHE281B, PHE281C, PHE447B, PHE447C, PHE488B, PHE488C, PHE68B, PHE68C, PHE85B, PHE85C, PRO210B, PRO210C, PRO213B, PRO213C, PRO278B, PRO278C, PRO436B, PRO436C, PRO440B, PRO440C, PRO442B, PRO442C, PRO501B, PRO501C, PRO59B, PRO59C, PRO66B, PRO66C, PRO70B, PRO70C, PRO88B, PRO88C, SER170B, SER170C, SER197B, SER197C, SER217B, SER217C, SER219B, SER219C, SER220B, SER220C, SER226B, SER226C, SER268B, SER268C, SER438B, SER438C, SER489B, SER489C, SER490B, SER490C, SER494B, SER494C, SER529B, SER529C, SER60B, SER60C, SER98B, SER98C, THR101B, THR101C, THR143B, THR143C, THR199B, THR199C, THR378B, THR378C, THR439B, THR439C, THR441B, THR441C, THR485B, THR485C, THR493B, THR493C, THR58B, THR58C, THR93B, THR93C, TRP200B, TRP200C, TRP54B, TRP54C, TYR207B, TYR207C, TYR267B, TYR267C, TYR483B, TYR483C, VAL264B, VAL264C, VAL420B, VAL420C, VAL448B
• B-D: ALA201B, ALA201D, ALA554B, ALA554D, ALA677B, ALA677D, ALA719B, ALA719D, ARG202B, ARG202D, ARG586B, ARG586D, ASN581B, ASN581D, ASN650B, ASN650D, ASN673B, ASN673D, ASN676B, ASN676D, ASP550B, ASP550D, ASP552B, ASP552D, ASP582B, ASP582D, ASP648B, ASP648D, ASP720B, ASP720D, ASP726B, ASP726D, GLN228B, GLN228D, GLN583B, GLN583D, GLN670B, GLN670D, GLN722B, GLN722D, GLU203B, GLU203D, GLU555B, GLU555D, GLU647B, GLU647D, GLU723B, GLU723D, GLY198B, GLY198D, GLY585B, GLY585D, GLY649B, GLY649D, GLY721B, GLY721D, HIS205B, HIS205D, HIS227B, HIS227D, HIS674B, HIS674D, ILE559B, ILE559D, ILE587B, ILE587D, ILE717B, ILE717D, LEU558B, LEU558D, LEU671B, LEU671D, LEU672B, LEU672D, LEU718B, LEU718D, LYS725B, LYS725D, PHE727B, PHE727D, PRO580B, PRO580D, PRO675B, PRO675D, PRO678B, PRO678D, SER548B, SER548D, SER724B, SER724D, THR199B, THR199D, THR551B, THR551D, THR588B, THR588D, TRP200B, TRP200D, TYR679B, TYR679D, VAL579B, VAL579D
• C-D: ALA189C, ALA246C, ALA246D, ALA57C, ALA57D, ALA677C, ALA677D, ALA710C, ALA710D, ALA71C, ALA71D, ARG208C, ARG208D, ARG237C, ARG237D, ARG39C, ARG39D, ARG55C, ARG55D, ARG681C, ARG681D, ARG688C, ARG688D, ARG692C, ARG692D, ASN190C, ASN190D, ASN48C, ASN48D, ASN676C, ASN676D, ASN67C, ASN67D, ASN690C, ASN690D, ASN709C, ASN709D, ASP188C, ASP188D, ASP242C, ASP242D, ASP265C, ASP265D, ASP56C, ASP56D, ASP698C, ASP698D, ASP705C, ASP705D, GLN15C, GLN15D, GLN239C, GLN239D, GLN244C, GLN244D, GLN266C, GLN266D, GLN33C, GLN33D, GLN43C, GLN43D, GLN47C, GLN47D, GLN52C, GLN52D, GLN691C, GLN691D, GLN69C, GLN69D, GLU243C, GLU243D, GLU53C, GLU53D, GLU647C, GLU647D, GLU706C, GLU706D, GLY245C, GLY245D, GLY304C, GLY304D, GLY37C, GLY37D, GLY704C, GLY704D, GLY711C, GLY711D, HIS13C, HIS13D, HIS18C, HIS18D, HIS41C, HIS41D, HIS4C, HIS674C, HIS674D, HIS741D, HIS743D, HIS744D, HIS745D, ILE22C, ILE22D, ILE34C, ILE34D, ILE40C, ILE40D, ILE695C, ILE695D, ILE717C, ILE717D, ILE73C, ILE73D, LEU186C, LEU186D, LEU49C, LEU49D, LEU707C, LEU707D, LEU718C, LEU718D, LYS74C, LYS74D, PHE682C, PHE682D, PHE684C, PHE684D, PHE68C, PHE68D, PHE713C, PHE713D, PRO187C, PRO187D, PRO238C, PRO238D, PRO38C, PRO38D, PRO44C, PRO44D, PRO675C, PRO675D, PRO678C, PRO678D, PRO689C, PRO689D, PRO699C, PRO699D, PRO715C, PRO715D, SER20C, SER20D, SER268C, SER268D, SER302C, SER302D, SER51C, SER51D, SER700C, SER700D, THR19C, THR19D, THR240C, THR240D, THR241C, THR241D, THR269C, THR269D, THR45C, THR45D, THR58C, THR58D, THR680C, THR680D, THR701C, THR701D, THR716C, THR716D, THR72C, THR72D, TRP54C, TRP54D, TYR191C, TYR191D, TYR267C, TYR267D, TYR300C, TYR300D, TYR35C, TYR35D, TYR36C, TYR36D, TYR46C, TYR46D, TYR679C, TYR679D, TYR683C, TYR683D, TYR693C, TYR693D, TYR702C, TYR702D, TYR703C, TYR703D, TYR712C, TYR712D, VAL42C, VAL42D, VAL646C, VAL646D, VAL714C, VAL714D