3OB8

structure of the beta-galactosidase from kluyveromyces lactis in complex with galactose

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 222
  • Norm. En. per Res.: -4.6396
• 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	-171.1339	-14.5595	-535.23	-720.9233	306	42	2	21470	9	166	182
A-D	-21.632	-16.6645	-48.3048	-86.6012	46	6	0	2571	0	37	27
A-C	-136.7444	-147.8831	-723.851	-1008.4785	223	34	26	27877	11	62	45
B-D	-145.5922	-149.3407	-735.063	-1029.996	222	31	24	27745	11	64	50
B-C	-20.2436	-19.9931	-37.7774	-78.0141	44	5	0	2290	0	35	27

Interface residues

• A-B: ALA258A, ALA258B, ALA40A, ALA40B, ALA597A, ALA597B, ALA708A, ALA708B, ALA713A, ALA713B, ARG111A, ARG111B, ARG360A, ARG360B, ARG372A, ARG372B, ARG981A, ARG981B, ARG984A, ARG984B, ASN168A, ASN168B, ASN263A, ASN263B, ASN266A, ASN266B, ASN268A, ASN268B, ASN36A, ASN36B, ASN631A, ASN631B, ASN932A, ASN932B, ASP116A, ASP116B, ASP197B, ASP251A, ASP251B, ASP257A, ASP257B, ASP28A, ASP28B, ASP30A, ASP30B, ASP368A, ASP368B, ASP593A, ASP593B, ASP598A, ASP598B, ASP706A, ASP706B, ASP707A, ASP707B, ASP78A, ASP78B, ASP888A, ASP888B, ASP917A, ASP917B, ASP920A, ASP920B, ASP966A, ASP966B, GLN29A, GLN29B, GLN310A, GLN310B, GLN76A, GLN76B, GLU114A, GLU114B, GLU165A, GLU165B, GLU167A, GLU167B, GLU248A, GLU250A, GLU250B, GLU264A, GLU264B, GLU265A, GLU265B, GLU275A, GLU275B, GLU33A, GLU33B, GLU592A, GLU592B, GLU629A, GLU629B, GLU77A, GLU77B, GLU891A, GLU891B, GLU922A, GLU922B, GLU923A, GLU923B, GLU946A, GLU946B, GLU967A, GLU967B, GLY166A, GLY166B, GLY267A, GLY267B, GLY318A, GLY318B, GLY37A, GLY37B, GLY599A, GLY599B, GLY709A, GLY709B, GLY714A, GLY714B, GLY933A, GLY933B, GLY983A, GLY983B, HIS125A, HIS125B, HIS602A, HIS602B, HIS715A, HIS935A, HIS935B, HIS985A, HIS985B, ILE120A, ILE120B, ILE31A, ILE31B, ILE375A, ILE67A, ILE67B, ILE964A, ILE964B, LEU115A, LEU115B, LEU200A, LEU200B, LEU203A, LEU203B, LEU261A, LEU261B, LEU35A, LEU35B, LEU601A, LEU601B, LEU711A, LEU711B, LYS118A, LYS118B, LYS202A, LYS202B, LYS254A, LYS254B, LYS274A, LYS274B, LYS308A, LYS308B, LYS325A, LYS325B, LYS379A, LYS379B, LYS395A, LYS395B, LYS600A, LYS600B, LYS603A, LYS603B, LYS62A, LYS62B, LYS63A, LYS63B, LYS705A, LYS705B, LYS712A, LYS712B, LYS80A, LYS80B, LYS919A, LYS919B, LYS944B, LYS963A, LYS963B, LYS980A, LYS980B, PHE113A, PHE113B, PHE123A, PHE123B, PHE271A, PHE271B, PHE32A, PHE32B, PHE361A, PHE361B, PHE41A, PHE41B, PHE893A, PHE893B, PHE924A, PHE924B, PHE962A, PHE962B, PRO204A, PRO204B, PRO366A, PRO366B, PRO38A, PRO38B, PRO70A, PRO70B, PRO900A, SER117A, SER117B, SER119A, SER119B, SER122A, SER122B, SER164A, SER164B, SER199A, SER199B, SER253A, SER253B, SER259A, SER259B, SER260A, SER260B, SER272A, SER272B, SER319A, SER319B, SER34A, SER34B, SER595A, SER595B, SER65A, SER65B, SER68A, SER68B, SER892A, SER892B, SER918A, SER918B, SER965A, SER965B, THR112A, THR112B, THR269A, THR269B, THR270A, THR270B, THR273A, THR273B, THR596A, THR596B, THR66A, THR66B, TRP39A, TRP39B, TRP58A, TRP58B, TRP64A, TRP64B, TRP885A, TRP885B, TRP895A, TRP895B, TYR247A, TYR247B, TYR256A, TYR256B, TYR27A, TYR27B, TYR605A, TYR605B, TYR81A, TYR81B, TYR890A, TYR890B, TYR968A, TYR968B, TYR982A, TYR982B, TYR986A, TYR986B, VAL255A, VAL255B, VAL320A, VAL320B, VAL594A, VAL594B, VAL69A, VAL69B, VAL710A, VAL710B, VAL921A, VAL921B, VAL925A, VAL925B
• A-D: ALA948A, ASN743A, ASP593D, ASP598D, ASP78D, GLU1025A, GLU592D, GLU752A, GLU77D, GLU891A, GLU946A, GLY599D, GLY755A, GLY774A, GLY947A, GLY949A, HIS602D, HIS757A, LEU601D, LEU756A, LYS600D, LYS612D, LYS62D, LYS63D, LYS738A, LYS741A, LYS771A, LYS773A, LYS775A, LYS80D, LYS83D, LYS944A, LYS950A, PHE1024A, PHE591D, PHE945A, SER595D, SER65D, SER753A, SER754A, SER889A, THR66D, TRP64D, TRP79D, VAL594D, VAL772A
• A-C: ALA444A, ALA46A, ALA46C, ALA50A, ALA50C, ARG10A, ARG10C, ARG424A, ARG424C, ARG747A, ARG747C, ARG837A, ARG837C, ASN104A, ASN104C, ASN423A, ASN423C, ASN427A, ASN427C, ASN443A, ASN443C, ASN803A, ASN803C, ASN808A, ASN808C, ASN815A, ASN815C, ASN835A, ASN835C, ASN99A, ASN99C, ASP45A, ASP45C, ASP49A, ASP49C, ASP52A, ASP52C, ASP744C, ASP761A, ASP761C, ASP810A, ASP810C, ASP96A, ASP96C, CYS3A, CYS3C, GLN419A, GLN419C, GLN814A, GLN814C, GLN873A, GLN873C, GLN90A, GLN90C, GLU420A, GLU420C, GLU613A, GLU613C, GLU614A, GLU614C, GLU782A, GLU782C, GLU848A, GLU848C, GLU871A, GLU871C, GLY417A, GLY417C, GLY745A, GLY745C, GLY765A, GLY765C, GLY783A, GLY783C, GLY818A, GLY818C, GLY846A, GLY846C, GLY870A, GLY870C, HIS416A, HIS416C, HIS425A, HIS425C, HIS445A, HIS445C, HIS616A, HIS616C, HIS817A, HIS817C, ILE5A, ILE5C, ILE809A, ILE809C, ILE816A, ILE816C, ILE838A, ILE838C, ILE93A, ILE93C, ILE95A, ILE95C, ILE97A, ILE97C, LEU428A, LEU428C, LEU439A, LEU439C, LEU447A, LEU447C, LEU48A, LEU48C, LEU4A, LEU4C, LEU760A, LEU760C, LEU763A, LEU763C, LEU764A, LEU764C, LEU811A, LEU811C, LYS173A, LYS173C, LYS746A, LYS746C, LYS762A, LYS762C, LYS802A, LYS802C, LYS805A, LYS805C, LYS806A, LYS806C, LYS813A, LYS813C, MET812A, MET812C, PHE422A, PHE422C, PHE44A, PHE44C, PHE781A, PHE781C, PHE843A, PHE843C, PRO100A, PRO100C, PRO101A, PRO101C, PRO105A, PRO421A, PRO421C, PRO47A, PRO47C, PRO51A, PRO51C, PRO6A, PRO6C, PRO840A, PRO840C, PRO874A, PRO874C, PRO875A, PRO875C, PRO92A, PRO92C, PRO94A, PRO94C, SER2A, SER2C, SER820A, SER820C, SER836A, SER836C, SER839A, SER839C, THR102A, THR102C, THR415A, THR415C, THR426A, THR426C, THR869A, THR869C, THR87A, THR87C, TRP804A, TRP804C, TYR182A, TYR182C, TYR446A, TYR446C, TYR748A, TYR748C, TYR807A, TYR807C, TYR844A, TYR844C, TYR845A, TYR845C, TYR872A, TYR872C, TYR91A, TYR91C, VAL103A, VAL103C, VAL418A, VAL418C, VAL442A, VAL442C, VAL615A, VAL615C, VAL819A, VAL819C, VAL834A, VAL834C, VAL841A, VAL841C, VAL842A, VAL842C, VAL89A, VAL89C
• B-D: ALA444B, ALA46B, ALA46D, ALA50B, ALA50D, ARG10B, ARG10D, ARG424B, ARG424D, ARG747B, ARG747D, ARG837B, ARG837D, ASN104B, ASN104D, ASN423B, ASN423D, ASN427B, ASN427D, ASN443B, ASN443D, ASN803B, ASN803D, ASN808B, ASN808D, ASN815B, ASN815D, ASN835B, ASN835D, ASN99B, ASN99D, ASP45B, ASP45D, ASP49B, ASP49D, ASP52B, ASP52D, ASP761B, ASP761D, ASP810B, ASP810D, ASP96B, ASP96D, CYS3B, CYS3D, GLN419B, GLN419D, GLN814B, GLN814D, GLN873B, GLN873D, GLN90B, GLN90D, GLU420B, GLU420D, GLU613B, GLU613D, GLU614B, GLU614D, GLU782B, GLU782D, GLU848B, GLU848D, GLU871B, GLU871D, GLY417B, GLY417D, GLY745B, GLY745D, GLY765B, GLY765D, GLY783B, GLY783D, GLY818B, GLY818D, GLY846B, GLY846D, GLY870B, GLY870D, HIS416D, HIS425B, HIS425D, HIS445B, HIS445D, HIS616B, HIS616D, HIS817B, HIS817D, ILE5B, ILE5D, ILE809B, ILE809D, ILE816B, ILE816D, ILE838B, ILE838D, ILE93B, ILE93D, ILE95B, ILE95D, ILE97B, ILE97D, LEU428B, LEU428D, LEU439B, LEU439D, LEU447B, LEU447D, LEU48B, LEU48D, LEU4B, LEU4D, LEU760B, LEU760D, LEU763B, LEU763D, LEU764B, LEU764D, LEU811B, LEU811D, LYS173B, LYS173D, LYS746B, LYS746D, LYS762B, LYS762D, LYS802B, LYS802D, LYS805B, LYS805D, LYS806B, LYS806D, LYS813B, LYS813D, MET812B, MET812D, PHE422B, PHE422D, PHE44B, PHE44D, PHE781B, PHE781D, PHE843B, PHE843D, PRO100B, PRO100D, PRO101B, PRO101D, PRO105B, PRO105D, PRO421B, PRO421D, PRO47B, PRO47D, PRO51B, PRO51D, PRO6B, PRO6D, PRO840B, PRO840D, PRO874B, PRO874D, PRO875B, PRO875D, PRO92B, PRO92D, PRO94B, PRO94D, SER2B, SER2D, SER820B, SER820D, SER836B, SER836D, SER839B, SER839D, THR102B, THR102D, THR415B, THR415D, THR426B, THR426D, THR869B, THR869D, THR87B, THR87D, TRP804B, TRP804D, TYR182B, TYR182D, TYR446B, TYR446D, TYR748B, TYR748D, TYR807B, TYR807D, TYR844B, TYR844D, TYR845B, TYR845D, TYR872B, TYR872D, TYR91B, TYR91D, VAL103B, VAL103D, VAL418B, VAL418D, VAL442B, VAL442D, VAL615B, VAL615D, VAL819B, VAL819D, VAL834B, VAL834D, VAL841B, VAL841D, VAL842B, VAL842D, VAL89B, VAL89D
• B-C: ALA948B, ASN743B, ASP593C, ASP78C, GLU1025B, GLU592C, GLU752B, GLU77C, GLU891B, GLU946B, GLY599C, GLY755B, GLY774B, GLY947B, GLY949B, HIS602C, HIS757B, LEU601C, LEU756B, LYS600C, LYS612C, LYS62C, LYS63C, LYS738B, LYS741B, LYS771B, LYS773B, LYS775B, LYS80C, LYS83C, LYS944B, LYS950B, PHE591C, PHE945B, SER595C, SER65C, SER753B, SER754B, SER889B, THR66C, TRP64C, TRP79C, VAL594C, VAL772B