3A75

crystal structure of glutamate complex of halotolerant γ-glutamyltranspeptidase from bacillus subtilis

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 451
  • Norm. En. per Res.: -6.8262
• 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	-631.4913	-120.5068	-2290.37	-3042.3681	453	105	83	85707	13	92	79
A-C	-3.2302	-11.1058	-24.4956	-38.8316	30	1	0	1308	1	14	16
A-D	0.0	8.2806	-0.2466	8.034	5	0	0	27	0	4	2
C-D	-631.9671	-167.1649	-2279.48	-3078.6119	451	158	80	86900	14	96	85

Interface residues

• A-B: ALA116A, ALA118A, ALA120A, ALA132A, ALA144A, ALA157A, ALA177A, ALA188A, ALA190A, ALA202A, ALA203A, ALA226A, ALA239A, ALA246A, ALA286A, ALA325A, ALA333A, ALA336A, ALA339A, ALA387A, ALA409B, ALA448B, ALA453B, ALA487B, ALA509B, ALA50A, ALA510B, ALA52A, ALA56A, ALA571B, ALA578B, ALA579B, ALA61A, ALA70A, ALA73A, ALA74A, ALA76A, ARG113A, ARG115A, ARG138A, ARG164A, ARG200A, ARG316A, ARG335A, ARG411B, ARG461B, ARG515B, ARG525B, ARG575B, ASN267A, ASN309A, ASN346A, ASN366A, ASN371A, ASN388A, ASN414B, ASN440B, ASN441B, ASN454B, ASN459B, ASN519B, ASN539B, ASN554B, ASN564B, ASN576B, ASN583B, ASN69A, ASN82A, ASP101A, ASP106A, ASP111A, ASP123A, ASP127A, ASP184A, ASP193A, ASP205A, ASP224A, ASP251A, ASP255A, ASP264A, ASP269A, ASP273A, ASP279A, ASP306A, ASP314A, ASP334A, ASP341A, ASP368A, ASP410B, ASP42A, ASP434B, ASP445B, ASP447B, ASP46A, ASP474B, ASP475B, ASP528B, ASP533B, ASP561B, ASP572B, ASP62A, ASP72A, GLN195A, GLN222A, GLN254A, GLN281A, GLN284A, GLN300A, GLN312A, GLN322A, GLN369A, GLN391A, GLN394A, GLN40A, GLN424B, GLN457B, GLN495B, GLN556B, GLN78A, GLU114A, GLU137A, GLU189A, GLU196A, GLU319A, GLU326A, GLU343A, GLU37A, GLU393A, GLU423B, GLU442B, GLU455B, GLU502B, GLU506B, GLU512B, GLU513B, GLU527B, GLU563B, GLU58A, GLU85A, GLY102A, GLY119A, GLY130A, GLY142A, GLY146A, GLY149A, GLY153A, GLY243A, GLY257A, GLY258A, GLY278A, GLY282A, GLY294A, GLY295A, GLY340A, GLY413B, GLY427B, GLY429B, GLY436B, GLY44A, GLY451B, GLY452B, GLY47A, GLY482B, GLY486B, GLY504B, GLY529B, GLY540B, GLY542B, GLY565B, GLY569B, GLY577B, GLY581B, GLY60A, GLY67A, GLY68A, GLY90A, GLY92A, GLY93A, GLY94A, GLY95A, HIS329A, HIS405B, HIS500B, HIS53A, HIS543B, HIS562B, ILE109A, ILE110A, ILE133A, ILE183A, ILE191A, ILE221A, ILE232A, ILE270A, ILE272A, ILE276A, ILE285A, ILE296A, ILE304A, ILE422B, ILE430B, ILE438B, ILE449B, ILE470B, ILE489B, ILE490B, ILE497B, ILE501B, ILE516B, ILE552B, ILE558B, ILE560B, ILE580B, ILE582B, ILE59A, ILE71A, ILE77A, ILE91A, LEU126A, LEU151A, LEU154A, LEU187A, LEU198A, LEU208A, LEU214A, LEU220A, LEU225A, LEU231A, LEU249A, LEU265A, LEU298A, LEU299A, LEU302A, LEU305A, LEU310A, LEU323A, LEU324A, LEU330A, LEU367A, LEU425B, LEU439B, LEU443B, LEU463B, LEU471B, LEU479B, LEU494B, LEU498B, LEU507B, LEU535B, LEU538B, LEU55A, LEU584B, LEU64A, LEU81A, LYS103A, LYS105A, LYS131A, LYS141A, LYS197A, LYS204A, LYS223A, LYS227A, LYS235A, LYS244A, LYS247A, LYS263A, LYS303A, LYS320A, LYS372A, LYS373A, LYS390A, LYS39A, LYS45A, LYS460B, LYS473B, LYS476B, LYS508B, LYS537B, LYS544B, LYS568B, LYS65A, LYS66A, MET124A, MET260A, MET301A, MET328A, MET431B, MET466B, MET48A, MET505B, MET521B, MET541B, MET87A, MET88A, MET97A, MET98A, PHE125A, PHE135A, PHE207A, PHE229A, PHE240A, PHE245A, PHE256A, PHE297A, PHE308A, PHE344A, PHE406B, PHE426B, PHE446B, PHE472B, PHE545B, PHE567B, PHE79A, PHE96A, PRO117A, PRO122A, PRO134A, PRO148A, PRO275A, PRO289A, PRO290A, PRO291A, PRO342A, PRO348A, PRO374A, PRO395A, PRO433B, PRO450B, PRO458B, PRO462B, PRO468B, PRO477B, PRO484B, PRO514B, PRO531B, PRO54A, PRO86A, SER112A, SER136A, SER185A, SER192A, SER199A, SER250A, SER259A, SER292A, SER293A, SER311A, SER317A, SER331A, SER337A, SER417B, SER464B, SER465B, SER483B, SER491B, SER492B, SER520B, SER522B, SER523B, SER536B, SER557B, SER559B, SER573B, SER574B, SER57A, SER89A, THR104A, THR107A, THR108A, THR121A, THR140A, THR143A, THR150A, THR163A, THR201A, THR228A, THR248A, THR252A, THR271A, THR287A, THR288A, THR327A, THR403B, THR404B, THR407B, THR419B, THR420B, THR421B, THR428B, THR444B, THR467B, THR469B, THR480B, THR488B, THR496B, THR518B, THR51A, THR566B, TRP161A, TRP277A, TRP318A, TRP380A, TRP412B, TYR100A, TYR194A, TYR268A, TYR280A, TYR283A, TYR313A, TYR321A, TYR332A, TYR338A, TYR389A, TYR38A, TYR418B, TYR435B, TYR499B, TYR503B, TYR517B, TYR524B, TYR526B, VAL139A, VAL145A, VAL147A, VAL186A, VAL206A, VAL253A, VAL315A, VAL345A, VAL347A, VAL370A, VAL392A, VAL408B, VAL415B, VAL416B, VAL41A, VAL432B, VAL437B, VAL43A, VAL456B, VAL478B, VAL481B, VAL493B, VAL49A, VAL511B, VAL530B, VAL534B, VAL555B, VAL570B, VAL63A, VAL75A, VAL83A, VAL99A
• A-C: ASP218A, ASP356C, GLN284C, GLN383C, GLU178A, GLU216A, GLU37A, GLU384C, GLY180A, GLY217A, GLY351C, GLY385C, HIS354C, ILE183A, ILE221A, LEU214A, LEU220A, LYS175A, LYS179A, LYS215A, LYS350C, LYS359C, LYS381C, PHE181A, PRO182A, PRO355C, THR219A, TRP380C, TYR357C, TYR382C
• A-D: ASP474D, ASP475D, CB8.5843733.12235, GLU37A, GLU37A5
• C-D: ALA116C, ALA118C, ALA120C, ALA132C, ALA144C, ALA157C, ALA177C, ALA188C, ALA190C, ALA202C, ALA203C, ALA226C, ALA239C, ALA246C, ALA286C, ALA325C, ALA333C, ALA336C, ALA339C, ALA387C, ALA409D, ALA448D, ALA453D, ALA487D, ALA509D, ALA50C, ALA510D, ALA52C, ALA56C, ALA571D, ALA578D, ALA579D, ALA61C, ALA70C, ALA73C, ALA74C, ALA76C, ARG113C, ARG115C, ARG138C, ARG164C, ARG200C, ARG316C, ARG335C, ARG411D, ARG461D, ARG515D, ARG525D, ARG575D, ARG586D, ASN267C, ASN309C, ASN346C, ASN366C, ASN371C, ASN388C, ASN414D, ASN440D, ASN441D, ASN454D, ASN459D, ASN519D, ASN539D, ASN554D, ASN564D, ASN576D, ASN583D, ASN69C, ASN82C, ASP101C, ASP106C, ASP111C, ASP123C, ASP127C, ASP184C, ASP193C, ASP205C, ASP224C, ASP251C, ASP255C, ASP264C, ASP269C, ASP273C, ASP279C, ASP306C, ASP314C, ASP334C, ASP341C, ASP368C, ASP410D, ASP42C, ASP434D, ASP445D, ASP447D, ASP46C, ASP474D, ASP475D, ASP528D, ASP533D, ASP561D, ASP572D, ASP62C, ASP72C, GLN195C, GLN222C, GLN254C, GLN281C, GLN284C, GLN300C, GLN312C, GLN322C, GLN369C, GLN391C, GLN394C, GLN40C, GLN424D, GLN457D, GLN495D, GLN556D, GLN78C, GLU114C, GLU137C, GLU189C, GLU196C, GLU216C, GLU319C, GLU326C, GLU343C, GLU393C, GLU423D, GLU442D, GLU455D, GLU502D, GLU506D, GLU512D, GLU513D, GLU527D, GLU58C, GLU85C, GLY102C, GLY119C, GLY130C, GLY142C, GLY146C, GLY149C, GLY153C, GLY243C, GLY257C, GLY258C, GLY278C, GLY282C, GLY294C, GLY295C, GLY340C, GLY413D, GLY427D, GLY429D, GLY436D, GLY44C, GLY451D, GLY452D, GLY47C, GLY482D, GLY485D, GLY486D, GLY504D, GLY529D, GLY540D, GLY542D, GLY565D, GLY569D, GLY577D, GLY581D, GLY60C, GLY67C, GLY68C, GLY90C, GLY92C, GLY93C, GLY94C, GLY95C, HIS329C, HIS405D, HIS500D, HIS53C, HIS543D, HIS562D, ILE109C, ILE110C, ILE133C, ILE183C, ILE191C, ILE232C, ILE270C, ILE272C, ILE276C, ILE285C, ILE296C, ILE304C, ILE422D, ILE430D, ILE438D, ILE449D, ILE470D, ILE489D, ILE490D, ILE497D, ILE501D, ILE516D, ILE552D, ILE558D, ILE560D, ILE580D, ILE582D, ILE59C, ILE71C, ILE77C, ILE91C, LEU126C, LEU151C, LEU154C, LEU187C, LEU198C, LEU208C, LEU214C, LEU220C, LEU225C, LEU231C, LEU249C, LEU265C, LEU298C, LEU299C, LEU302C, LEU305C, LEU310C, LEU323C, LEU324C, LEU330C, LEU367C, LEU425D, LEU439D, LEU443D, LEU463D, LEU471D, LEU479D, LEU494D, LEU498D, LEU507D, LEU535D, LEU538D, LEU55C, LEU584D, LEU64C, LEU81C, LYS103C, LYS105C, LYS131C, LYS141C, LYS152C, LYS197C, LYS204C, LYS223C, LYS227C, LYS244C, LYS247C, LYS303C, LYS320C, LYS372C, LYS373C, LYS390C, LYS39C, LYS45C, LYS460D, LYS473D, LYS476D, LYS508D, LYS537D, LYS544D, LYS568D, LYS585D, LYS65C, LYS66C, MET124C, MET260C, MET301C, MET328C, MET431D, MET466D, MET48C, MET505D, MET521D, MET541D, MET87C, MET88C, MET97C, MET98C, PHE125C, PHE135C, PHE207C, PHE229C, PHE240C, PHE245C, PHE256C, PHE297C, PHE308C, PHE344C, PHE406D, PHE426D, PHE446D, PHE472D, PHE545D, PHE567D, PHE79C, PHE96C, PRO117C, PRO122C, PRO134C, PRO148C, PRO275C, PRO289C, PRO290C, PRO291C, PRO342C, PRO348C, PRO374C, PRO395C, PRO433D, PRO450D, PRO458D, PRO462D, PRO468D, PRO477D, PRO484D, PRO514D, PRO531D, PRO54C, PRO86C, SER112C, SER136C, SER185C, SER192C, SER199C, SER250C, SER259C, SER292C, SER293C, SER311C, SER317C, SER331C, SER337C, SER417D, SER464D, SER465D, SER491D, SER492D, SER520D, SER522D, SER523D, SER536D, SER557D, SER559D, SER573D, SER574D, SER57C, SER89C, THR104C, THR107C, THR108C, THR121C, THR140C, THR143C, THR150C, THR163C, THR201C, THR228C, THR248C, THR252C, THR271C, THR287C, THR288C, THR327C, THR403D, THR404D, THR407D, THR419D, THR420D, THR421D, THR428D, THR444D, THR467D, THR469D, THR480D, THR488D, THR496D, THR518D, THR51C, THR566D, TRP161C, TRP277C, TRP318C, TRP380C, TRP412D, TYR100C, TYR194C, TYR268C, TYR280C, TYR283C, TYR313C, TYR321C, TYR332C, TYR338C, TYR389C, TYR38C, TYR418D, TYR435D, TYR499D, TYR503D, TYR517D, TYR524D, TYR526D, VAL139C, VAL145C, VAL147C, VAL186C, VAL206C, VAL253C, VAL315C, VAL345C, VAL347C, VAL370C, VAL392C, VAL408D, VAL415D, VAL416D, VAL41C, VAL432D, VAL437D, VAL43C, VAL456D, VAL478D, VAL481D, VAL493D, VAL49C, VAL511D, VAL530D, VAL534D, VAL555D, VAL570D, VAL63C, VAL75C, VAL99C