2ZAL

crystal structure of e. coli isoaspartyl aminopeptidase/l-asparaginase in complex with l-aspartate

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 216
  • Norm. En. per Res.: -6.3662
• 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	-353.2675	-11.6516	-1041.82	-1406.7391	222	51	57	36877	0	24	26
A-C	0.0	7.2194	-17.9147	-10.6953	39	1	3	1092	0	10	13
A-D	-30.5898	-4.7671	-142.776	-178.1329	53	5	4	5582	1	9	7
B-C	-30.8386	-6.2215	-148.208	-185.2681	54	6	5	5841	1	8	7
B-D	-3.0377	7.9234	-154.013	-149.1273	70	6	15	6392	0	4	6
C-D	-360.0395	-8.159	-1006.91	-1375.1084	216	50	54	36395	0	24	26

Interface residues

• A-B: ALA110A, ALA12A, ALA14A, ALA155A, ALA156A, ALA161A, ALA182B, ALA184B, ALA18A, ALA192B, ALA193B, ALA194B, ALA216B, ALA220B, ALA223B, ALA226B, ALA279B, ALA287B, ALA298B, ALA302B, ALA31A, ALA34A, ALA45A, ALA49A, ALA4A, ALA56A, ALA68A, ALA72A, ALA7A, ALA84A, ALA94A, ALA96A, ALA98A, ARG111A, ARG149A, ARG157A, ARG17A, ARG207B, ARG27A, ARG297B, ARG312B, ARG58A, ARG76A, ASN105A, ASN190B, ASN202B, ASN221B, ASN222B, ASN285B, ASN291B, ASN67A, ASN90A, ASP186B, ASP188B, ASP210B, ASP281B, ASP304B, ASP51A, ASP77A, ASP83A, ASP88A, CB8.40600-7.79145, CYS218B, CYS229B, CYS63A, CYS85A, GLN152A, GLN19A, GLN24A, GLN40A, GLU151A, GLU159A, GLU25A, GLU283B, GLU293B, GLU30A, GLU37A, GLU44A, GLU47A, GLU55A, GLU61A, GLU62A, GLU78A, GLU81A, GLY10A, GLY11A, GLY124A, GLY13A, GLY160A, GLY181B, GLY189B, GLY198B, GLY199B, GLY206B, GLY209B, GLY215B, GLY217B, GLY231B, GLY275B, GLY276B, GLY284B, GLY294B, GLY2A, GLY300B, GLY303B, GLY309B, GLY39A, GLY46A, GLY69A, GLY71A, GLY89A, GLY95A, GLY99A, HIS282B, HIS80A, HIS9A, ILE123A, ILE15A, ILE278B, ILE280B, ILE29A, ILE310B, ILE35A, ILE6A, ILE70A, ILE8A, LEU108A, LEU148A, LEU153A, LEU154A, LEU185B, LEU187B, LEU191B, LEU204B, LEU213B, LEU22A, LEU26A, LEU277B, LEU288B, LEU32A, LEU43A, LEU50A, LEU59A, LEU60A, LEU65A, LEU82A, LEU92A, LYS158A, LYS203B, LYS3A, LYS3A9, LYS41A, LYS93A, MET114A, MET121A, MET122A, MET200B, MET20A, MET295B, MET42A, MET87A, PHE144A, PHE236B, PHE290B, PHE66A, PHE74A, PRO106A, PRO205B, PRO212B, PRO289B, PRO306B, SER101A, SER16A, SER196B, SER211B, SER21A, SER224B, SER228B, SER274B, SER33A, SER48A, THR179B, THR195B, THR197B, THR201B, THR230B, THR232B, THR292B, THR305B, THR307B, THR308B, THR38A, THR54A, THR75A, THR79A, THR91A, TRP299B, TYR150A, TYR219B, TYR243B, TYR28A, TYR296B, TYR301B, TYR311B, VAL100A, VAL107A, VAL120A, VAL180B, VAL183B, VAL208B, VAL214B, VAL225B, VAL227B, VAL286B, VAL36A, VAL52A, VAL53A, VAL57A, VAL5A, VAL73A, VAL86A, VAL97A
• A-C: ALA133C, ALA98A, ALA98C, ARG134A, ARG134C, ARG76A, ARG76C, ASN129A, ASN129C, ASP77A, ASP77C, ASP83A, ASP83C, GLU125A, GLU125C, GLU81A, GLU81C, GLY124A, GLY124C, GLY126A, GLY126C, GLY99A, GLY99C, HIS119A, HIS119C, ILE123A, ILE123C, LEU82A, LEU82C, MET121A, MET121C, MET122A, MET122C, PHE130C, THR75A, VAL100A, VAL100C, VAL97A, VAL97C
• A-D: ALA127A, ALA239D, ALA270D, ALA94A, ALA96A, ALA98A, ARG134A, ARG207D, ARG238D, ASN129A, ASN202D, ASN90A, ASP210D, ASP88A, GLN116A, GLU125A, GLU128A, GLU234D, GLY124A, GLY126A, GLY206D, GLY209D, GLY233D, GLY95A, HIS119A, ILE123A, ILE237D, LEU204D, LEU213D, LEU240D, LEU271D, LEU92A, LYS203D, LYS267D, LYS93A, MET114A, MET121A, MET122A, MET200D, MET87A, PHE130A, PHE236D, PRO118A, PRO205D, PRO212D, SER117A, THR201D, THR91A, VAL113A, VAL120A, VAL208D, VAL235D, VAL97A
• B-C: ALA127C, ALA131C, ALA133C, ALA216B, ALA239B, ALA94C, ALA96C, ALA98C, ARG134C, ARG207B, ARG238B, ASN129C, ASN202B, ASP210B, ASP88C, GLN116C, GLU125C, GLU128C, GLU234B, GLY124C, GLY126C, GLY206B, GLY209B, GLY233B, GLY95C, HIS119C, ILE123C, ILE237B, LEU204B, LEU213B, LEU240B, LEU271B, LEU92C, LYS203B, LYS267B, LYS93C, MET114C, MET121C, MET122C, MET200B, MET87C, PHE130C, PHE236B, PRO118C, PRO205B, PRO212B, SER117C, THR201B, THR91C, VAL113C, VAL120C, VAL208B, VAL235B, VAL97C
• B-D: ALA216B, ALA216D, ALA220B, ALA220D, ALA239B, ALA239D, ALA241B, ALA241D, ALA242B, ALA242D, ALA246B, ALA246D, ALA247B, ALA247D, ARG238B, ARG238D, ARG262B, ARG262D, ASN221B, ASN221D, ASP244B, ASP244D, ASP250B, ASP250D, CYS218B, CYS218D, GLU234B, GLU234D, GLY209B, GLY209D, GLY215B, GLY215D, GLY252B, GLY252D, GLY253B, GLY253D, ILE237B, ILE237D, ILE245B, ILE245D, LEU213B, LEU213D, LEU240B, LEU240D, LEU248B, LEU248D, LEU254B, LEU254D, LEU271B, LEU271D, LYS267B, LYS267D, MET249B, MET249D, PHE236B, PHE236D, PRO212B, PRO212D, TYR219B, TYR219D, TYR243B, TYR243D, TYR251B, TYR251D, VAL208B, VAL208D, VAL214B, VAL214D, VAL263B, VAL263D
• C-D: ALA110C, ALA12C, ALA14C, ALA155C, ALA156C, ALA182D, ALA184D, ALA18C, ALA192D, ALA193D, ALA194D, ALA216D, ALA220D, ALA223D, ALA226D, ALA279D, ALA287D, ALA298D, ALA302D, ALA31C, ALA34C, ALA45C, ALA49C, ALA4C, ALA56C, ALA68C, ALA72C, ALA7C, ALA84C, ALA94C, ALA96C, ALA98C, ARG104C, ARG111C, ARG149C, ARG157C, ARG17C, ARG207D, ARG27C, ARG297D, ARG312D, ARG58C, ARG76C, ASN105C, ASN190D, ASN202D, ASN221D, ASN222D, ASN285D, ASN291D, ASN67C, ASN90C, ASP186D, ASP188D, ASP210D, ASP281D, ASP304D, ASP51C, ASP77C, ASP83C, ASP88C, CYS218D, CYS229D, CYS63C, CYS85C, GLN152C, GLN19C, GLN24C, GLN40C, GLU151C, GLU25C, GLU283D, GLU293D, GLU30C, GLU37C, GLU44C, GLU47C, GLU55C, GLU61C, GLU62C, GLU78C, GLU81C, GLY10C, GLY11C, GLY124C, GLY13C, GLY181D, GLY189D, GLY198D, GLY199D, GLY206D, GLY209D, GLY215D, GLY217D, GLY231D, GLY275D, GLY276D, GLY284D, GLY294D, GLY2C, GLY300D, GLY303D, GLY309D, GLY39C, GLY46C, GLY69C, GLY71C, GLY89C, GLY95C, GLY99C, HIS282D, HIS80C, HIS9C, ILE123C, ILE15C, ILE278D, ILE280D, ILE29C, ILE310D, ILE35C, ILE6C, ILE70C, ILE8C, LEU108C, LEU148C, LEU153C, LEU154C, LEU185D, LEU187D, LEU191D, LEU204D, LEU213D, LEU22C, LEU26C, LEU277D, LEU288D, LEU32C, LEU43C, LEU50C, LEU59C, LEU60C, LEU65C, LEU82C, LEU92C, LYS203D, LYS3C, LYS41C, LYS93C, MET114C, MET121C, MET122C, MET200D, MET20C, MET295D, MET42C, MET87C, PHE144C, PHE236D, PHE290D, PHE66C, PHE74C, PRO106C, PRO205D, PRO212D, PRO289D, PRO306D, SER16C, SER196D, SER211D, SER21C, SER224D, SER228D, SER274D, SER33C, SER48C, THR179D, THR195D, THR197D, THR201D, THR230D, THR232D, THR292D, THR305D, THR307D, THR308D, THR38C, THR54C, THR75C, THR79C, THR91C, TRP299D, TYR150C, TYR219D, TYR243D, TYR28C, TYR296D, TYR301D, TYR311D, VAL100C, VAL107C, VAL120C, VAL180D, VAL183D, VAL208D, VAL214D, VAL225D, VAL227D, VAL286D, VAL36C, VAL52C, VAL53C, VAL57C, VAL5C, VAL73C, VAL86C, VAL97C