2GL9

crystal structure of glycosylasparaginase-substrate complex

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 199
  • Norm. En. per Res.: -6.4676
• 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	-295.8655	-6.8617	-984.325	-1287.0522	199	45	34	34550	1	26	32
A-C	0.0	17.1276	-21.394	-4.2664	47	0	3	1497	0	17	15
A-D	-31.0445	-22.1903	-204.015	-257.2498	66	11	4	7572	1	21	12
B-C	-31.5636	-19.2121	-192.843	-243.6188	65	11	4	7499	0	21	11
B-D	-7.1765	-50.0845	-135.219	-192.48	72	4	8	5919	11	34	15
C-D	-299.4917	-2.1868	-946.875	-1248.5535	199	41	34	33446	1	26	32

Interface residues

• A-B: ALA157B, ALA160B, ALA167B, ALA174B, ALA17A, ALA189B, ALA199B, ALA200B, ALA202B, ALA21A, ALA259B, ALA268B, ALA278B, ALA31A, ALA34A, ALA67A, ALA80A, ALA92A, ARG180B, ARG286B, ARG40A, ARG49A, ARG56A, ARG59A, ARG62A, ARG93A, ASN12A, ASN163B, ASN18A, ASN195B, ASN261B, ASN276B, ASN285B, ASN3A, ASN73A, ASN75A, ASN87A, ASP107A, ASP159B, ASP183B, ASP194B, ASP273B, ASP281B, ASP33A, ASP44A, ASP58A, ASP60A, ASP66A, ASP71A, CYS152B, CYS168B, CYS270B, CYS68A, CYS81A, GLN161B, GLN254B, GLN272B, GLN282B, GLU127A, GLU129A, GLU131A, GLU134A, GLU196B, GLU20A, GLU265B, GLU288B, GLU36A, GLU43A, GLU48A, GLU72A, GLU83A, GLY106A, GLY14A, GLY154B, GLY162B, GLY166B, GLY172B, GLY179B, GLY182B, GLY188B, GLY190B, GLY204B, GLY256B, GLY264B, GLY267B, GLY274B, GLY284B, GLY28A, GLY29A, GLY38A, GLY52A, GLY54A, GLY55A, GLY61A, GLY77A, HIS16A, HIS178B, HIS205B, HIS216B, HIS280B, ILE153B, ILE156B, ILE186B, ILE187B, ILE197B, ILE258B, ILE69A, ILE6A, ILE76A, ILE89A, LEU104A, LEU123A, LEU124A, LEU136A, LEU158B, LEU15A, LEU164B, LEU191B, LEU25A, LEU260B, LEU287B, LEU32A, LEU41A, LEU65A, LEU8A, LYS130A, LYS133A, LYS176B, LYS23A, LYS262B, LYS263B, LYS27A, LYS283B, LYS30A, LYS37A, LYS4A, LYS86A, MET103A, MET155B, MET173B, MET177B, MET70A, MET82A, MET96A, PHE13A, PHE192B, PHE257B, PHE275B, PHE277B, PRO185B, PRO228B, PRO290B, PRO57A, PRO5A, PRO88A, SER128A, SER139A, SER165B, SER171B, SER184B, SER26A, SER50A, SER78A, SER90A, SER9A, THR10A, THR169B, THR170B, THR201B, THR203B, THR215B, THR2A, THR64A, TRP11A, TRP132A, TRP135A, TRP22A, TYR141A, TYR175B, TYR266B, TYR53A, TYR74A, VAL102A, VAL105A, VAL181B, VAL193B, VAL19A, VAL219B, VAL24A, VAL255B, VAL279B, VAL35A, VAL39A, VAL42A, VAL51A, VAL63A, VAL79A, VAL7A, VAL91A
• A-C: ALA109A, ALA380C, ALA80A, ARG359C, ARG362C, ARG59A, ARG62A, ASP107A, ASP358C, ASP360C, ASP366C, ASP407C, ASP58A, ASP60A, ASP66A, CYS381C, CYS81A, GLU111A, GLU411C, GLY106A, GLY108A, GLY406C, GLY408C, HIS101A, HIS401C, LEU104A, LEU404C, MET103A, MET382C, MET403C, MET82A, PHE112A, PHE412C, PRO100A, PRO400C, SER115A, SER415C, THR364C, THR399C, THR64A, THR99A, TYR141A, TYR441C, VAL105A, VAL379C, VAL405C, VAL79A
• A-D: ALA109A, ALA113A, ALA474D, ALA80A, ALA94A, ARG480D, ARG511D, ARG538D, ARG545D, ARG546D, ASN544D, ASN73A, ASN75A, ASP107A, ASP483D, ASP71A, CYS68A, GLN116A, GLU111A, GLU507D, GLU508D, GLU72A, GLU97A, GLY106A, GLY108A, GLY479D, GLY482D, GLY506D, GLY547D, GLY77A, HIS101A, HIS478D, HIS505D, ILE486D, ILE510D, ILE539D, ILE542D, ILE76A, LEU104A, LEU110A, LEU517D, LYS476D, LYS548D, LYS98A, MET103A, MET473D, MET477D, MET70A, MET96A, PHE112A, PRO100A, PRO485D, SER115A, SER78A, THR512D, THR99A, TYR475D, TYR74A, VAL102A, VAL105A, VAL481D, VAL509D, VAL513D, VAL543D, VAL79A, VAL95A
• B-C: ALA174B, ALA380C, ALA409C, ALA413C, ARG180B, ARG211B, ARG238B, ARG245B, ARG246B, ASN244B, ASN373C, ASN375C, ASP183B, ASP371C, ASP407C, CYS368C, GLN416C, GLU207B, GLU208B, GLU372C, GLU397C, GLU411C, GLY179B, GLY182B, GLY206B, GLY247B, GLY377C, GLY406C, GLY408C, HIS178B, HIS205B, HIS401C, ILE186B, ILE210B, ILE239B, ILE242B, ILE376C, LEU217B, LEU404C, LEU410C, LYS176B, LYS248B, LYS398C, MET173B, MET177B, MET370C, MET396C, MET403C, PHE412C, PRO185B, PRO400C, SER378C, SER415C, THR212B, THR399C, TYR175B, TYR374C, VAL181B, VAL209B, VAL213B, VAL243B, VAL379C, VAL395C, VAL402C, VAL405C
• B-D: ALA189B, ALA489D, ARG211B, ARG226B, ARG238B, ARG245B, ARG511D, ARG526D, ARG538D, ARG545D, ASN195B, ASN223B, ASN495D, ASN523D, ASP183B, ASP194B, ASP483D, ASP494D, GLN224B, GLN524D, GLU196B, GLU207B, GLU220B, GLU496D, GLU507D, GLU520D, GLY188B, GLY214B, GLY488D, GLY514D, HIS216B, HIS516D, ILE186B, ILE187B, ILE197B, ILE210B, ILE242B, ILE486D, ILE487D, ILE497D, ILE510D, ILE542D, LEU191B, LEU217B, LEU221B, LEU491D, LEU517D, LEU521D, LYS241B, LYS262B, LYS541D, LYS562D, PHE192B, PHE492D, PRO185B, PRO485D, THR212B, THR215B, THR512D, THR515D, VAL181B, VAL193B, VAL209B, VAL213B, VAL218B, VAL219B, VAL481D, VAL493D, VAL509D, VAL513D, VAL518D, VAL519D
• C-D: ALA317C, ALA321C, ALA331C, ALA334C, ALA367C, ALA380C, ALA392C, ALA457D, ALA460D, ALA467D, ALA474D, ALA489D, ALA499D, ALA500D, ALA502D, ALA559D, ALA568D, ALA578D, ARG340C, ARG349C, ARG356C, ARG359C, ARG362C, ARG393C, ARG480D, ARG586D, ASN303C, ASN312C, ASN318C, ASN373C, ASN375C, ASN387C, ASN463D, ASN495D, ASN523D, ASN561D, ASN576D, ASN585D, ASP333C, ASP344C, ASP358C, ASP360C, ASP366C, ASP371C, ASP407C, ASP459D, ASP483D, ASP494D, ASP573D, ASP581D, CYS368C, CYS381C, CYS452D, CYS468D, CYS570D, GLN461D, GLN554D, GLN572D, GLN582D, GLU320C, GLU336C, GLU343C, GLU348C, GLU372C, GLU383C, GLU427C, GLU429C, GLU431C, GLU434C, GLU496D, GLU565D, GLU588D, GLY314C, GLY328C, GLY329C, GLY338C, GLY352C, GLY354C, GLY355C, GLY361C, GLY377C, GLY406C, GLY454D, GLY462D, GLY466D, GLY472D, GLY479D, GLY482D, GLY488D, GLY490D, GLY504D, GLY556D, GLY564D, GLY567D, GLY574D, GLY584D, HIS316C, HIS478D, HIS505D, HIS516D, HIS580D, ILE306C, ILE369C, ILE376C, ILE389C, ILE453D, ILE456D, ILE486D, ILE487D, ILE497D, ILE510D, ILE558D, LEU308C, LEU315C, LEU325C, LEU332C, LEU341C, LEU365C, LEU404C, LEU423C, LEU424C, LEU436C, LEU458D, LEU464D, LEU491D, LEU560D, LEU587D, LYS304C, LYS323C, LYS327C, LYS330C, LYS337C, LYS386C, LYS430C, LYS433C, LYS476D, LYS562D, LYS563D, LYS583D, MET370C, MET382C, MET396C, MET403C, MET455D, MET473D, MET477D, PHE313C, PHE492D, PHE557D, PHE575D, PHE577D, PRO305C, PRO357C, PRO388C, PRO485D, PRO528D, PRO590D, SER309C, SER326C, SER350C, SER378C, SER390C, SER428C, SER439C, SER465D, SER471D, SER484D, THR302C, THR310C, THR364C, THR469D, THR470D, THR501D, THR503D, TRP311C, TRP322C, TRP432C, TRP435C, TYR353C, TYR374C, TYR441C, TYR475D, TYR566D, VAL307C, VAL319C, VAL324C, VAL335C, VAL339C, VAL342C, VAL351C, VAL363C, VAL379C, VAL402C, VAL405C, VAL481D, VAL493D, VAL519D, VAL555D, VAL579D