3FN9

crystal structure of putative beta-galactosidase from bacteroides fragilis

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 242
  • Norm. En. per Res.: -2.9574
• 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	-121.1464	-93.7902	-452.208	-667.1446	241	34	6	21552	16	72	78
A-C	0.0	6.4731	-0.1206	6.3525	6	0	0	38	0	8	4
A-D	-62.7899	-3.1413	-112.667	-178.5982	64	9	0	4937	0	15	27
B-C	0.0	-3.5613	-6.8837	-10.445	20	0	0	606	0	10	10
B-D	0.0	21.5541	-1.7431	19.811	8	0	0	77	0	9	5
C-D	-126.9359	-102.3426	-486.418	-715.6965	242	20	6	21350	13	70	76

Interface residues

• A-B: ALA109A, ALA109B, ALA118A, ALA118B, ALA129A, ALA129B, ALA135A, ALA135B, ALA217A, ALA217B, ALA305A, ALA305B, ALA394A, ALA394B, ALA428A, ALA428B, ALA429A, ALA429B, ALA438A, ALA438B, ALA464A, ALA464B, ARG153A, ARG153B, ARG399A, ARG399B, ARG403A, ARG403B, ARG432A, ARG432B, ARG97A, ARG97B, ASN216A, ASN216B, ASN393A, ASN393B, ASN461A, ASN461B, ASN463A, ASN463B, ASP155A, ASP155B, ASP188A, ASP188B, ASP215A, ASP215B, ASP246A, ASP246B, ASP436A, ASP436B, ASP457A, ASP457B, ASP465A, ASP465B, ASP493A, ASP493B, CYS108A, CYS108B, CYS130A, CYS130B, CYS189A, CYS189B, GLN220A, GLN220B, GLN250A, GLN250B, GLN253A, GLN253B, GLN395A, GLN395B, GLN397A, GLN397B, GLN422A, GLN422B, GLN467A, GLN467B, GLN497A, GLN497B, GLU110A, GLU110B, GLU131A, GLU131B, GLU390A, GLU390B, GLU392A, GLU392B, GLU400A, GLU400B, GLU425A, GLU425B, GLU441A, GLU441B, GLY115A, GLY115B, GLY119A, GLY119B, GLY123A, GLY123B, GLY133A, GLY133B, GLY218A, GLY218B, GLY251A, GLY251B, GLY388A, GLY388B, GLY468A, GLY468B, HIS121A, HIS121B, HIS424A, HIS424B, HIS435A, HIS435B, HIS458A, HIS458B, ILE132A, ILE132B, ILE157A, ILE157B, ILE303A, ILE303B, ILE466A, ILE466B, ILE551A, ILE551B, LEU117A, LEU117B, LEU136A, LEU136B, LEU214A, LEU214B, LEU219A, LEU219B, LEU256B, LEU398B, LEU416A, LEU430A, LEU430B, LEU434A, LEU434B, LEU437A, LEU437B, LEU462A, LEU462B, LEU490A, LEU499A, LEU499B, LYS116A, LYS116B, LYS122A, LYS122B, LYS147A, LYS147B, LYS211A, LYS211B, LYS213A, LYS213B, LYS439A, LYS439B, LYS492A, LYS492B, LYS498A, LYS498B, MET456A, MET456B, MET469B, MET500A, MET500B, PHE99A, PHE99B, PRO154A, PRO154B, PRO221A, PRO221B, PRO249A, PRO249B, PRO423A, PRO423B, PRO443A, PRO443B, PRO459A, PRO459B, PRO495A, PRO495B, SER248A, SER248B, SER396A, SER396B, SER433A, SER433B, SER449B, THR120A, THR120B, THR134A, THR134B, THR185A, THR185B, THR187A, THR187B, THR252A, THR252B, THR254A, THR254B, THR387A, THR387B, THR391A, THR391B, THR427A, THR427B, THR431A, THR431B, THR440A, THR440B, THR447A, THR447B, TYR112A, TYR112B, TYR195A, TYR195B, TYR389A, TYR389B, TYR426A, TYR426B, TYR446A, TYR494A, TYR494B, TYR496A, TYR496B, TYR549A, TYR549B, VAL111A, VAL111B, VAL113A, VAL113B, VAL156A, VAL156B, VAL386A, VAL386B, VAL448A, VAL448B
• A-C: ASP200C, ASP285A, GLY286A, LYS204C, LYS287A, SER202C
• A-D: ALA206A, ALA223D, ARG243A, ARG243D, ARG281D, ASN228A, ASN228D, ASN263A, ASN263D, ASP246D, GLN236A, GLN236D, GLU227A, GLU227D, GLU234A, GLU234D, GLY235D, GLY239A, GLY239D, GLY286D, HIS241A, HIS241D, ILE230A, ILE230D, LEU226A, LEU226D, LEU256A, LEU261A, LEU261D, LYS204A, LYS237A, LYS237D, LYS260A, LYS260D, LYS262A, LYS262D, LYS277D, MET283D, PHE245A, PHE245D, PHE259A, PHE259D, PRO264A, SER205A, SER242A, SER242D, SER244A, SER244D, SER257A, THR225A, THR225D, THR229A, THR229D, THR232D, THR240A, THR240D, THR258A, THR258D, TYR231D, TYR255A, TYR255D, VAL224D, VAL238A, VAL238D
• B-C: ASP493C, GLU302B, GLU314B, GLU491C, GLY306C, GLY313B, LYS307B, LYS307C, LYS315B, LYS492C, PHE310B, PHE310C, PRO495B, PRO495C, TYR494C, TYR496B, TYR496C, TYR549C, VAL304B, VAL304C
• B-D: ASP200B, ASP207B, ASP285D, GLY95D, LYS199B, LYS204B, LYS260B, LYS287D
• C-D: ALA109C, ALA109D, ALA118C, ALA118D, ALA129C, ALA129D, ALA135C, ALA135D, ALA217C, ALA217D, ALA305C, ALA305D, ALA394C, ALA394D, ALA428C, ALA428D, ALA429C, ALA429D, ALA438C, ALA438D, ALA464C, ALA464D, ARG153C, ARG153D, ARG399C, ARG399D, ARG403C, ARG403D, ARG432C, ARG432D, ARG97C, ARG97D, ASN216C, ASN216D, ASN393C, ASN393D, ASN461C, ASN461D, ASN463C, ASN463D, ASP155C, ASP155D, ASP188C, ASP188D, ASP215C, ASP215D, ASP246C, ASP246D, ASP436C, ASP436D, ASP457C, ASP457D, ASP465C, ASP465D, ASP493C, ASP493D, CYS108C, CYS108D, CYS130C, CYS130D, CYS189C, CYS189D, GLN220C, GLN220D, GLN250C, GLN250D, GLN253C, GLN253D, GLN395C, GLN395D, GLN397C, GLN397D, GLN422C, GLN422D, GLN467C, GLN467D, GLN497C, GLN497D, GLU110C, GLU110D, GLU131C, GLU131D, GLU390C, GLU390D, GLU392C, GLU392D, GLU400C, GLU400D, GLU425C, GLU425D, GLU441C, GLU441D, GLY115C, GLY115D, GLY119C, GLY119D, GLY123C, GLY123D, GLY133C, GLY133D, GLY218C, GLY218D, GLY251C, GLY251D, GLY388C, GLY388D, GLY468C, GLY468D, HIS121C, HIS121D, HIS424C, HIS424D, HIS435C, HIS435D, HIS455C, HIS458C, HIS458D, ILE132C, ILE132D, ILE157C, ILE466C, ILE466D, ILE551D, LEU117C, LEU117D, LEU136C, LEU136D, LEU214C, LEU214D, LEU219C, LEU219D, LEU256C, LEU398D, LEU416C, LEU416D, LEU430C, LEU430D, LEU434D, LEU437C, LEU437D, LEU462C, LEU462D, LEU490C, LEU490D, LEU499C, LEU499D, LYS116C, LYS116D, LYS122C, LYS122D, LYS147C, LYS147D, LYS199D, LYS211C, LYS211D, LYS213C, LYS213D, LYS439C, LYS439D, LYS492C, LYS492D, LYS498C, LYS498D, MET456C, MET456D, MET469C, MET469D, MET500C, MET500D, PHE99C, PHE99D, PRO154C, PRO221C, PRO221D, PRO249C, PRO249D, PRO423C, PRO423D, PRO443C, PRO443D, PRO459C, PRO459D, PRO495C, PRO495D, SER191D, SER248C, SER248D, SER396C, SER396D, SER433C, SER433D, SER449C, SER449D, THR120C, THR120D, THR134C, THR134D, THR185C, THR185D, THR187C, THR187D, THR252C, THR252D, THR254C, THR254D, THR387C, THR387D, THR391C, THR391D, THR427C, THR427D, THR431C, THR431D, THR440C, THR440D, THR447C, THR447D, TYR112C, TYR112D, TYR195C, TYR195D, TYR389C, TYR389D, TYR426C, TYR426D, TYR446D, TYR494C, TYR494D, TYR496C, TYR496D, TYR549C, VAL111C, VAL111D, VAL113C, VAL113D, VAL156C, VAL156D, VAL186D, VAL386C, VAL386D, VAL448C, VAL448D