1T3M

structure of the isoaspartyl peptidase with l-asparaginase activity from e. coli

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 215
  • Norm. En. per Res.: -6.4736
• 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	-355.6685	-19.073	-1017.09	-1391.8314	215	51	55	35983	1	22	25
A-C	0.0	8.7857	-17.3524	-8.5668	38	0	3	1073	0	6	12
A-D	-32.5274	-5.0342	-137.878	-175.4396	54	3	4	5520	1	9	7
B-C	-33.488	-5.6536	-138.179	-177.3206	56	5	4	5480	1	9	7
B-D	-2.2522	0.0	-158.105	-160.3572	69	5	15	6295	0	4	6
C-D	-336.1563	-17.9901	-989.149	-1343.2954	215	42	53	35388	1	22	25

Interface residues

• A-B: ALA109A, ALA11A, ALA13A, ALA154A, ALA155A, ALA17A, ALA181B, ALA183B, ALA191B, ALA192B, ALA193B, ALA215B, ALA219B, ALA222B, ALA225B, ALA278B, ALA286B, ALA297B, ALA301B, ALA30A, ALA33A, ALA3A, ALA44A, ALA48A, ALA55A, ALA67A, ALA6A, ALA71A, ALA83A, ALA93A, ALA95A, ALA97A, ARG110A, ARG148A, ARG156A, ARG16A, ARG206B, ARG26A, ARG296B, ARG311B, ARG57A, ARG75A, ASN104A, ASN189B, ASN201B, ASN220B, ASN221B, ASN284B, ASN290B, ASN66A, ASN89A, ASP185B, ASP187B, ASP209B, ASP280B, ASP303B, ASP50A, ASP76A, ASP82A, ASP87A, CB8.20293-7.47656, CYS217B, CYS228B, CYS62A, CYS84A, GLN151A, GLN18A, GLN23A, GLN39A, GLU150A, GLU24A, GLU282B, GLU292B, GLU29A, GLU36A, GLU43A, GLU46A, GLU54A, GLU60A, GLU61A, GLU77A, GLU80A, GLY10A, GLY12A, GLY180B, GLY188B, GLY197B, GLY198B, GLY1A, GLY205B, GLY208B, GLY214B, GLY216B, GLY230B, GLY274B, GLY275B, GLY283B, GLY293B, GLY299B, GLY302B, GLY308B, GLY38A, GLY45A, GLY68A, GLY70A, GLY88A, GLY94A, GLY98A, GLY9A, HIS281B, HIS79A, HIS8A, ILE122A, ILE14A, ILE277B, ILE279B, ILE28A, ILE309B, ILE34A, ILE5A, ILE7A, LEU107A, LEU147A, LEU152A, LEU153A, LEU184B, LEU186B, LEU190B, LEU203B, LEU212B, LEU21A, LEU25A, LEU276B, LEU287B, LEU31A, LEU42A, LEU49A, LEU58A, LEU59A, LEU64A, LEU81A, LEU91A, LYS202B, LYS2A, LYS2A9, LYS40A, LYS92A, MET113A, MET120A, MET121A, MET199B, MET19A, MET294B, MET41A, MET86A, PHE143A, PHE235B, PHE289B, PHE65A, PHE73A, PRO105A, PRO204B, PRO211B, PRO288B, PRO305B, SER15A, SER195B, SER20A, SER210B, SER223B, SER227B, SER273B, SER32A, SER47A, THR178B, THR194B, THR196B, THR200B, THR229B, THR231B, THR291B, THR304B, THR306B, THR307B, THR37A, THR53A, THR74A, THR78A, THR90A, TRP298B, TYR149A, TYR218B, TYR242B, TYR27A, TYR295B, TYR300B, TYR310B, VAL106A, VAL119A, VAL179B, VAL182B, VAL207B, VAL213B, VAL224B, VAL226B, VAL285B, VAL35A, VAL4A, VAL51A, VAL52A, VAL56A, VAL72A, VAL85A, VAL96A, VAL99A
• A-C: ALA132A, ALA97A, ALA97C, ARG133C, ARG75A, ARG75C, ASN128A, ASN128C, ASP76A, ASP76C, ASP82A, ASP82C, GLU124A, GLU124C, GLU80A, GLU80C, GLY123A, GLY123C, GLY125A, GLY125C, GLY98A, GLY98C, HIS118C, ILE122A, ILE122C, LEU81A, LEU81C, MET120A, MET120C, MET121A, MET121C, PHE129A, PHE129C, PRO117C, VAL96A, VAL96C, VAL99A, VAL99C
• A-D: ALA126A, ALA130A, ALA132A, ALA238D, ALA269D, ALA93A, ALA95A, ALA97A, ARG133A, ARG206D, ARG237D, ASN128A, ASN201D, ASN89A, ASP209D, ASP87A, GLN115A, GLU124A, GLU127A, GLU233D, GLY123A, GLY125A, GLY205D, GLY208D, GLY232D, GLY94A, HIS118A, ILE122A, ILE236D, LEU203D, LEU212D, LEU239D, LEU270D, LEU91A, LYS202D, LYS266D, LYS92A, MET113A, MET120A, MET121A, MET199D, MET86A, PHE129A, PHE235D, PRO117A, PRO204D, PRO211D, SER116A, THR90A, VAL112A, VAL119A, VAL207D, VAL234D, VAL96A
• B-C: ALA126C, ALA130C, ALA132C, ALA238B, ALA269B, ALA93C, ALA95C, ALA97C, ARG133C, ARG206B, ARG237B, ASN128C, ASN201B, ASN89C, ASP209B, ASP87C, CYS84C, GLN115C, GLU124C, GLU127C, GLU233B, GLY123C, GLY125C, GLY205B, GLY208B, GLY232B, GLY94C, HIS118C, ILE122C, ILE236B, LEU203B, LEU212B, LEU239B, LEU270B, LEU91C, LYS202B, LYS266B, LYS92C, MET113C, MET120C, MET121C, MET199B, MET86C, PHE129C, PHE235B, PRO117C, PRO204B, PRO211B, SER116C, THR231B, THR90C, VAL112C, VAL119C, VAL207B, VAL234B, VAL96C
• B-D: ALA215B, ALA215D, ALA219B, ALA219D, ALA238B, ALA238D, ALA240B, ALA240D, ALA241B, ALA241D, ALA245B, ALA245D, ALA246B, ALA246D, ARG237B, ARG237D, ARG261B, ARG261D, ASN220B, ASN220D, ASP243B, ASP243D, ASP249B, ASP249D, CYS217B, CYS217D, GLU233B, GLU233D, GLY214B, GLY214D, GLY251B, GLY251D, GLY252B, GLY252D, ILE236B, ILE236D, ILE244B, ILE244D, LEU212B, LEU212D, LEU239B, LEU239D, LEU247B, LEU247D, LEU253B, LEU253D, LEU270B, LEU270D, LYS266B, LYS266D, MET248B, MET248D, PHE235B, PHE235D, PRO211B, PRO211D, TYR218B, TYR218D, TYR242B, TYR242D, TYR250B, TYR250D, VAL207B, VAL207D, VAL213B, VAL213D, VAL234D, VAL262B, VAL262D
• C-D: ALA108C, ALA109C, ALA11C, ALA13C, ALA154C, ALA155C, ALA17C, ALA181D, ALA183D, ALA191D, ALA192D, ALA193D, ALA215D, ALA219D, ALA222D, ALA225D, ALA278D, ALA286D, ALA297D, ALA301D, ALA30C, ALA33C, ALA3C, ALA44C, ALA48C, ALA55C, ALA67C, ALA6C, ALA71C, ALA83C, ALA93C, ALA95C, ALA97C, ARG103C, ARG110C, ARG148C, ARG156C, ARG16C, ARG206D, ARG26C, ARG296D, ARG311D, ARG57C, ARG75C, ASN104C, ASN189D, ASN201D, ASN220D, ASN221D, ASN284D, ASN290D, ASN66C, ASN89C, ASP185D, ASP187D, ASP209D, ASP280D, ASP303D, ASP50C, ASP76C, ASP82C, ASP87C, CYS217D, CYS228D, CYS62C, CYS84C, GLN151C, GLN18C, GLN23C, GLN39C, GLU150C, GLU24C, GLU282D, GLU292D, GLU29C, GLU36C, GLU43C, GLU46C, GLU54C, GLU60C, GLU61C, GLU77C, GLU80C, GLY10C, GLY12C, GLY180D, GLY188D, GLY197D, GLY198D, GLY205D, GLY208D, GLY214D, GLY216D, GLY230D, GLY274D, GLY275D, GLY283D, GLY293D, GLY299D, GLY302D, GLY308D, GLY38C, GLY45C, GLY68C, GLY70C, GLY88C, GLY94C, GLY98C, GLY9C, HIS281D, HIS79C, HIS8C, ILE122C, ILE14C, ILE277D, ILE279D, ILE28C, ILE309D, ILE34C, ILE5C, ILE7C, LEU107C, LEU147C, LEU152C, LEU153C, LEU184D, LEU186D, LEU190D, LEU203D, LEU212D, LEU21C, LEU25C, LEU276D, LEU287D, LEU31C, LEU42C, LEU49C, LEU58C, LEU59C, LEU64C, LEU81C, LEU91C, LYS157C, LYS202D, LYS2C, LYS40C, LYS92C, MET113C, MET120C, MET121C, MET199D, MET19C, MET294D, MET41C, MET86C, PHE143C, PHE235D, PHE289D, PHE65C, PHE73C, PRO105C, PRO204D, PRO211D, PRO288D, PRO305D, SER15C, SER195D, SER20C, SER210D, SER223D, SER227D, SER273D, SER32C, SER47C, THR178D, THR194D, THR196D, THR200D, THR229D, THR231D, THR291D, THR304D, THR306D, THR307D, THR37C, THR53C, THR74C, THR78C, THR90C, TRP298D, TYR149C, TYR218D, TYR242D, TYR27C, TYR295D, TYR300D, TYR310D, VAL106C, VAL119C, VAL179D, VAL182D, VAL207D, VAL213D, VAL224D, VAL226D, VAL285D, VAL35C, VAL4C, VAL51C, VAL52C, VAL56C, VAL72C, VAL85C, VAL96C, VAL99C