2DBW

crystal structure of gamma-glutamyltranspeptidase from escherichia coli acyl-enzyme intermediate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 449
  • Norm. En. per Res.: -5.948
• 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	-508.1327	-106.6075	-2055.93	-2670.6703	449	92	68	75419	8	100	94
A-C	-16.7788	-53.0248	-24.4016	-94.2052	37	1	0	1386	4	20	30
A-D	-23.0618	22.9751	-107.35	-107.4366	54	4	1	4191	1	24	20
B-C	-24.2388	11.6812	-108.688	-121.2456	51	5	1	4158	1	23	20
B-D	-21.5582	-26.3037	-45.1363	-92.9982	44	5	0	2168	4	11	10
C-D	-511.3106	-96.4725	-2030.03	-2637.8132	446	92	67	74696	8	100	95

Interface residues

• A-B: ALA110A, ALA117A, ALA119A, ALA121A, ALA144A, ALA152A, ALA157A, ALA177A, ALA186A, ALA188A, ALA207A, ALA225A, ALA228A, ALA248A, ALA252A, ALA269A, ALA272A, ALA29A, ALA320A, ALA322A, ALA327A, ALA329A, ALA333A, ALA335A, ALA372A, ALA403B, ALA405B, ALA420B, ALA436B, ALA451B, ALA453B, ALA46A, ALA506B, ALA508B, ALA511B, ALA52A, ALA539B, ALA567B, ALA56A, ALA578B, ALA58A, ALA72A, ALA75A, ALA76A, ALA78A, ALA82A, ALA84A, ALA90A, ARG102A, ARG114A, ARG123A, ARG275A, ARG283A, ARG337A, ARG379A, ARG459B, ARG45A, ARG486B, ARG513B, ARG524B, ARG571B, ASN105A, ASN107A, ASN132A, ASN184A, ASN201A, ASN204A, ASN226A, ASN258A, ASN305A, ASN370A, ASN402B, ASN411B, ASN428B, ASN429B, ASN442B, ASN452B, ASN457B, ASN497B, ASN504B, ASN510B, ASN71A, ASN92A, ASP112A, ASP124A, ASP128A, ASP134A, ASP185A, ASP189A, ASP190A, ASP266A, ASP281A, ASP311A, ASP321A, ASP336A, ASP343A, ASP345A, ASP368A, ASP398B, ASP39A, ASP400B, ASP432B, ASP433B, ASP450B, ASP472B, ASP500B, ASP521B, ASP532B, ASP55A, ASP561B, ASP569B, ASP574B, ASP575B, ASP64A, ASP74A, GLN130A, GLN224A, GLN250A, GLN253A, GLN286A, GLN302A, GLN324A, GLN430B, GLN48A, GLN493B, GLN517B, GLN542B, GLN554B, GLN60A, GLN89A, GLU115A, GLU197A, GLU203A, GLU241A, GLU249A, GLU254A, GLU274A, GLU308A, GLU328A, GLU330A, GLU339A, GLU377A, GLU37A, GLU38A, GLU422B, GLU507B, GLU522B, GLU526B, GLU538B, GLU548B, GLU563B, GLU68A, GLY106A, GLY131A, GLY146A, GLY149A, GLY162A, GLY195A, GLY260A, GLY280A, GLY284A, GLY296A, GLY297A, GLY316A, GLY318A, GLY342A, GLY35A, GLY401B, GLY415B, GLY417B, GLY421B, GLY424B, GLY439B, GLY445B, GLY448B, GLY449B, GLY455B, GLY473B, GLY480B, GLY484B, GLY49A, GLY502B, GLY528B, GLY541B, GLY551B, GLY559B, GLY562B, GLY566B, GLY579B, GLY62A, GLY69A, GLY70A, GLY80A, GLY91A, GLY94A, GLY95A, GLY96A, GLY97A, HIS142A, HIS202A, HIS299A, HIS393B, HIS42A, HIS515B, HIS516B, HIS87A, ILE101A, ILE111A, ILE208A, ILE234A, ILE247A, ILE251A, ILE262A, ILE278A, ILE298A, ILE300A, ILE303A, ILE306A, ILE325A, ILE367A, ILE369A, ILE378A, ILE418B, ILE425B, ILE468B, ILE487B, ILE488B, ILE499B, ILE556B, ILE65A, LEU100A, LEU127A, LEU139A, LEU143A, LEU187A, LEU191A, LEU199A, LEU222A, LEU227A, LEU231A, LEU261A, LEU267A, LEU304A, LEU307A, LEU341A, LEU410B, LEU426B, LEU427B, LEU446B, LEU461B, LEU477B, LEU492B, LEU503B, LEU519B, LEU523B, LEU534B, LEU536B, LEU537B, LEU564B, LEU576B, LEU66A, LEU83A, LEU93A, LYS104A, LYS120A, LYS136A, LYS137A, LYS192A, LYS206A, LYS218A, LYS229A, LYS257A, LYS271A, LYS313A, LYS314A, LYS331A, LYS348A, LYS371A, LYS373A, LYS399B, LYS437B, LYS458B, LYS471B, LYS474B, LYS47A, LYS535B, LYS540B, LYS543B, LYS67A, PHE113A, PHE126A, PHE154A, PHE209A, PHE242A, PHE310A, PHE317A, PHE346A, PHE414B, PHE41A, PHE434B, PHE514B, PHE529B, PHE98A, PRO118A, PRO133A, PRO148A, PRO200A, PRO215A, PRO277A, PRO291A, PRO292A, PRO293A, PRO30A, PRO31A, PRO344A, PRO350A, PRO374A, PRO380A, PRO438B, PRO43A, PRO441B, PRO456B, PRO460B, PRO466B, PRO482B, PRO512B, PRO520B, PRO560B, PRO570B, PRO88A, SER103A, SER135A, SER138A, SER141A, SER145A, SER196A, SER205A, SER230A, SER279A, SER289A, SER294A, SER295A, SER319A, SER338A, SER33A, SER375A, SER376A, SER395B, SER423B, SER435B, SER462B, SER463B, SER465B, SER481B, SER485B, SER498B, SER530B, SER53A, SER552B, SER555B, SER568B, SER572B, THR108A, THR109A, THR122A, THR140A, THR147A, THR150A, THR163A, THR193A, THR246A, THR391B, THR392B, THR407B, THR409B, THR412B, THR413B, THR416B, THR467B, THR475B, THR479B, THR489B, THR490B, THR509B, THR533B, THR553B, THR577B, THR57A, THR59A, TRP210A, TRP476B, TRP518B, TYR161A, TYR194A, TYR270A, TYR282A, TYR285A, TYR288A, TYR315A, TYR332A, TYR334A, TYR340A, TYR34A, TYR394B, TYR408B, TYR444B, TYR501B, TYR565B, TYR580B, TYR81A, VAL151A, VAL183A, VAL198A, VAL273A, VAL287A, VAL301A, VAL32A, VAL347A, VAL349A, VAL36A, VAL396B, VAL397B, VAL404B, VAL406B, VAL40A, VAL419B, VAL440B, VAL443B, VAL447B, VAL44A, VAL454B, VAL469B, VAL470B, VAL478B, VAL491B, VAL495B, VAL496B, VAL505B, VAL51A, VAL525B, VAL54A, VAL558B, VAL573B, VAL61A, VAL63A, VAL73A, VAL77A, VAL79A, VAL85A
• A-C: ALA186A, ALA188A, ALA188C, ALA46A, ALA46C, ARG45A, ARG45C, ASN184A, ASP185A, ASP185C, ASP189A, ASP189C, ASP190A, ASP190C, GLU37A, GLU37C, GLU38A, GLU38C, HIS42A, HIS42C, LYS192A, LYS192C, LYS217A, LYS218A, LYS218C, LYS47A, LYS47C, PHE41A, PHE41C, PRO43C, THR193A, THR193C, TYR194A, TYR194C, VAL40A, VAL44A, VAL44C
• A-D: ALA320A, ALA322A, ALA511D, ALA549D, ALA578D, ARG45A, ARG513D, ARG524D, ARG571D, ASN510D, ASP185A, ASP321A, ASP39A, ASP532D, ASP569D, ASP574D, GLU37A, GLU38A, GLU526D, GLU548D, GLU563D, GLY316A, GLY318A, GLY35A, GLY528D, GLY551D, GLY579D, HIS42A, LEU546D, LYS218A, LYS313A, LYS314A, LYS527D, LYS535D, LYS547D, PHE317A, PHE41A, PHE529D, PRO43A, PRO512D, PRO531D, PRO570D, SER319A, SER33A, SER530D, SER572D, THR509D, THR533D, TYR315A, TYR580D, VAL36A, VAL40A, VAL44A, VAL573D
• B-C: ALA320C, ALA322C, ALA511B, ALA549B, ARG45C, ARG513B, ARG524B, ARG571B, ASN510B, ASP321C, ASP39C, ASP532B, ASP569B, ASP574B, GLU37C, GLU38C, GLU526B, GLU548B, GLU563B, GLY316C, GLY318C, GLY35C, GLY528B, GLY551B, GLY579B, HIS42C, LEU546B, LYS218C, LYS313C, LYS314C, LYS527B, LYS547B, PHE317C, PHE41C, PHE529B, PRO43C, PRO512B, PRO531B, PRO570B, SER319C, SER33C, SER530B, SER572B, THR509B, THR533B, TYR315C, TYR580B, VAL36C, VAL40C, VAL44C, VAL573B
• B-D: ALA506B, ALA506D, ALA511B, ALA511D, ASN504B, ASN504D, ASN510B, ASN510D, ASP532B, ASP532D, GLU507B, GLU507D, GLY502B, GLY502D, GLY528B, GLY528D, LEU503B, LEU503D, LEU534B, LEU534D, LEU536B, LEU536D, LEU537B, LEU537D, LYS527B, LYS527D, LYS535B, LYS535D, LYS540B, LYS540D, PHE529B, PHE529D, PRO512B, PRO512D, PRO531B, PRO531D, PRO570B, PRO570D, SER530B, SER530D, THR533B, THR533D, TYR501B, TYR501D
• C-D: ALA110C, ALA117C, ALA119C, ALA121C, ALA144C, ALA152C, ALA157C, ALA177C, ALA186C, ALA188C, ALA207C, ALA225C, ALA228C, ALA248C, ALA252C, ALA269C, ALA272C, ALA320C, ALA322C, ALA327C, ALA329C, ALA333C, ALA335C, ALA372C, ALA403D, ALA405D, ALA420D, ALA436D, ALA451D, ALA453D, ALA46C, ALA506D, ALA508D, ALA511D, ALA52C, ALA539D, ALA567D, ALA56C, ALA578D, ALA58C, ALA72C, ALA75C, ALA76C, ALA78C, ALA82C, ALA84C, ALA90C, ARG102C, ARG114C, ARG123C, ARG275C, ARG283C, ARG337C, ARG379C, ARG459D, ARG45C, ARG486D, ARG513D, ARG524D, ARG571D, ASN105C, ASN107C, ASN132C, ASN184C, ASN201C, ASN204C, ASN226C, ASN258C, ASN305C, ASN370C, ASN402D, ASN411D, ASN428D, ASN429D, ASN442D, ASN452D, ASN457D, ASN497D, ASN504D, ASN510D, ASN71C, ASN92C, ASP112C, ASP124C, ASP128C, ASP134C, ASP185C, ASP189C, ASP190C, ASP266C, ASP281C, ASP311C, ASP321C, ASP336C, ASP343C, ASP345C, ASP368C, ASP398D, ASP39C, ASP400D, ASP432D, ASP433D, ASP450D, ASP472D, ASP500D, ASP521D, ASP532D, ASP55C, ASP561D, ASP569D, ASP574D, ASP575D, ASP64C, ASP74C, GLN130C, GLN224C, GLN250C, GLN253C, GLN286C, GLN302C, GLN324C, GLN430D, GLN48C, GLN493D, GLN517D, GLN542D, GLN554D, GLN60C, GLN89C, GLU115C, GLU197C, GLU203C, GLU241C, GLU249C, GLU254C, GLU274C, GLU308C, GLU328C, GLU330C, GLU339C, GLU377C, GLU38C, GLU422D, GLU507D, GLU522D, GLU526D, GLU538D, GLU548D, GLU563D, GLU68C, GLY106C, GLY131C, GLY146C, GLY149C, GLY162C, GLY195C, GLY260C, GLY280C, GLY284C, GLY296C, GLY297C, GLY316C, GLY318C, GLY342C, GLY35C, GLY401D, GLY415D, GLY417D, GLY421D, GLY424D, GLY439D, GLY445D, GLY448D, GLY449D, GLY455D, GLY473D, GLY480D, GLY483D, GLY484D, GLY49C, GLY502D, GLY528D, GLY541D, GLY551D, GLY559D, GLY562D, GLY566D, GLY579D, GLY62C, GLY69C, GLY70C, GLY80C, GLY91C, GLY94C, GLY95C, GLY96C, GLY97C, HIS142C, HIS202C, HIS299C, HIS393D, HIS42C, HIS515D, HIS516D, HIS87C, ILE101C, ILE111C, ILE208C, ILE234C, ILE247C, ILE251C, ILE262C, ILE278C, ILE298C, ILE300C, ILE303C, ILE306C, ILE325C, ILE367C, ILE369C, ILE378C, ILE418D, ILE425D, ILE468D, ILE487D, ILE488D, ILE499D, ILE556D, ILE65C, LEU100C, LEU127C, LEU139C, LEU143C, LEU187C, LEU191C, LEU199C, LEU222C, LEU227C, LEU231C, LEU261C, LEU267C, LEU304C, LEU307C, LEU341C, LEU410D, LEU426D, LEU427D, LEU446D, LEU461D, LEU477D, LEU492D, LEU503D, LEU519D, LEU523D, LEU534D, LEU536D, LEU537D, LEU564D, LEU576D, LEU66C, LEU83C, LEU93C, LYS104C, LYS120C, LYS136C, LYS137C, LYS192C, LYS206C, LYS218C, LYS229C, LYS257C, LYS271C, LYS313C, LYS314C, LYS331C, LYS348C, LYS371C, LYS373C, LYS399D, LYS437D, LYS458D, LYS471D, LYS474D, LYS47C, LYS535D, LYS540D, LYS543D, LYS67C, PHE113C, PHE126C, PHE154C, PHE209C, PHE242C, PHE310C, PHE317C, PHE346C, PHE414D, PHE41C, PHE434D, PHE514D, PHE529D, PHE98C, PRO118C, PRO133C, PRO148C, PRO200C, PRO277C, PRO291C, PRO292C, PRO293C, PRO344C, PRO350C, PRO374C, PRO380C, PRO438D, PRO43C, PRO441D, PRO456D, PRO460D, PRO466D, PRO482D, PRO512D, PRO520D, PRO560D, PRO570D, PRO88C, SER103C, SER135C, SER138C, SER141C, SER145C, SER196C, SER205C, SER230C, SER279C, SER289C, SER294C, SER295C, SER319C, SER338C, SER33C, SER375C, SER376C, SER395D, SER423D, SER435D, SER462D, SER463D, SER465D, SER481D, SER485D, SER498D, SER530D, SER53C, SER552D, SER555D, SER568D, SER572D, THR108C, THR109C, THR122C, THR140C, THR147C, THR150C, THR163C, THR193C, THR246C, THR391D, THR392D, THR407D, THR409D, THR412D, THR413D, THR416D, THR467D, THR475D, THR479D, THR489D, THR490D, THR509D, THR533D, THR553D, THR577D, THR57C, THR59C, THR86C, TRP210C, TRP476D, TRP518D, TYR161C, TYR194C, TYR270C, TYR282C, TYR285C, TYR288C, TYR315C, TYR332C, TYR334C, TYR340C, TYR34C, TYR394D, TYR408D, TYR444D, TYR501D, TYR565D, TYR580D, TYR81C, VAL151C, VAL183C, VAL198C, VAL273C, VAL287C, VAL301C, VAL32C, VAL347C, VAL349C, VAL36C, VAL396D, VAL397D, VAL404D, VAL406D, VAL40C, VAL419D, VAL440D, VAL443D, VAL447D, VAL44C, VAL454D, VAL469D, VAL470D, VAL478D, VAL491D, VAL495D, VAL496D, VAL505D, VAL51C, VAL525D, VAL54C, VAL558D, VAL573D, VAL61C, VAL63C, VAL73C, VAL77C, VAL79C, VAL85C