2P2D

crystal structure and allosteric regulation of the cytoplasmic escherichia coli l-asparaginase i

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 190
  • Norm. En. per Res.: -3.2892
• Hub Node: A(2)

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	-51.0644	21.4624	-211.648	-241.2501	106	12	4	9303	4	25	22
A-C	-80.2212	38.4898	-583.225	-624.9563	190	14	14	22869	0	22	17
B-D	-66.4549	39.4634	-576.061	-603.0525	189	11	14	22921	0	21	17
C-D	-38.9002	30.1802	-213.067	-221.7869	104	9	4	9307	1	25	23

Interface residues

• A-B: ALA122A, ALA122B, ALA135A, ALA135B, ALA166A, ALA183A, ALA183B, ARG125A, ARG125B, ARG188A, ARG188B, ARG19A, ARG19B, ARG43A, ARG43B, ASN131A, ASN131B, ASN134A, ASN134B, ASN141A, ASN141B, ASN152A, ASN152B, ASN153A, ASN153B, ASP127A, ASP127B, ASP167A, ASP170A, ASP170B, GLN118A, GLN118B, GLN129A, GLN129B, GLN34A, GLN34B, GLU123A, GLU123B, GLU182A, GLU182B, GLU40A, GLU40B, GLU45A, GLU45B, GLY128A, GLY128B, GLY168A, GLY168B, GLY184A, GLY184B, HIS186A, HIS186B, HIS42A, HIS42B, ILE119A, ILE119B, ILE130A, ILE130B, ILE185A, ILE185B, ILE187A, ILE187B, LEU121A, LEU121B, LEU124A, LEU124B, LEU133A, LEU133B, LEU136A, LEU136B, LEU181A, LEU181B, LEU37A, LEU37B, MET38A, MET38B, MET46A, MET46B, PHE150A, PHE150B, PHE151A, PHE151B, PHE169A, PHE169B, PHE41A, PHE41B, PRO120A, PRO120B, PRO39A, PRO39B, PRO44A, PRO44B, PRO47A, PRO47B, SER117A, SER117B, SER126A, SER126B, TYR137A, TYR137B, TYR142A, TYR142B, TYR24A, TYR24B, VAL138A, VAL138B
• A-C: ALA100A, ALA100C, ALA164A, ALA164C, ALA166A, ALA166C, ALA171A, ALA171C, ALA173A, ALA173C, ALA223A, ALA223C, ALA236A, ALA236C, ALA247A, ALA247C, ALA95A, ALA95C, ARG227A, ARG227C, ARG231A, ARG231C, ARG240A, ARG240C, ARG263A, ARG263C, ASN176A, ASN176C, ASN228A, ASN228C, ASN246A, ASN246C, ASN250A, ASN250C, ASN279A, ASN279C, ASP167A, ASP167C, ASP170A, ASP170C, ASP224A, ASP224C, ASP299A, ASP299C, ASP59A, ASP59C, ASP62A, ASP62C, ASP67A, ASP67C, ASP92A, ASP92C, CYS273A, CYS273C, GLN210A, GLN210C, GLN232A, GLN232C, GLN249A, GLN249C, GLN272A, GLN272C, GLU303A, GLU303C, GLU66A, GLU66C, GLY168A, GLY168C, GLY213A, GLY213C, GLY220A, GLY220C, GLY243A, GLY243C, GLY245A, GLY245C, GLY276A, GLY276C, GLY286C, HIS165A, HIS165C, HIS310A, HIS310C, HIS89A, HIS89C, ILE212A, ILE212C, ILE217A, ILE217C, ILE221A, ILE221C, ILE238A, ILE238C, LEU230A, LEU230C, LEU237A, LEU237C, LEU254C, LEU270A, LEU270C, LEU306A, LEU306C, LYS163A, LYS163C, LYS235A, LYS235C, LYS277A, LYS277C, MET274A, MET274C, MET63A, MET63C, MET94A, MET94C, PHE169A, PHE169C, PHE172A, PHE172C, PHE229A, PHE229C, PHE253C, PRO175A, PRO175C, PRO209A, PRO209C, PRO211A, PRO211C, PRO219A, PRO219C, PRO233A, PRO233C, PRO248A, PRO248C, PRO65A, PRO65C, SER174A, SER222A, SER222C, SER241A, SER241C, SER275A, SER275C, SER60A, SER60C, SER61A, SER61C, THR161A, THR162A, THR162C, THR216A, THR216C, THR271A, THR271C, THR301A, THR301C, THR307A, THR307C, THR335A, THR64A, THR64C, THR91A, THR91C, THR93A, THR93C, THR97A, THR97C, TRP68A, TRP68C, TYR218A, TYR218C, TYR242A, TYR242C, TYR96A, TYR96C, VAL214A, VAL214C, VAL215A, VAL215C, VAL225A, VAL225C, VAL226A, VAL226C, VAL234A, VAL234C, VAL244A, VAL244C, VAL278A, VAL278C, VAL302A, VAL302C
• B-D: ALA100B, ALA100D, ALA164B, ALA164D, ALA166B, ALA166D, ALA171B, ALA171D, ALA173B, ALA173D, ALA223B, ALA223D, ALA236B, ALA236D, ALA247B, ALA247D, ALA288B, ALA95B, ALA95D, ARG227B, ARG227D, ARG231B, ARG231D, ARG240B, ARG240D, ARG263B, ASN176B, ASN176D, ASN228B, ASN228D, ASN246B, ASN246D, ASN250B, ASN250D, ASN279B, ASN279D, ASP167B, ASP167D, ASP170B, ASP170D, ASP224B, ASP224D, ASP299B, ASP299D, ASP59B, ASP59D, ASP62B, ASP62D, ASP67B, ASP67D, ASP92B, ASP92D, CYS273B, CYS273D, GLN210B, GLN210D, GLN232B, GLN232D, GLN249B, GLN249D, GLN272B, GLN272D, GLU303B, GLU303D, GLU66B, GLU66D, GLY168B, GLY168D, GLY213B, GLY213D, GLY220B, GLY220D, GLY243B, GLY243D, GLY245B, GLY245D, GLY276B, GLY276D, HIS165B, HIS165D, HIS310B, HIS310D, HIS89B, HIS89D, ILE212B, ILE212D, ILE217B, ILE217D, ILE221B, ILE221D, ILE238B, ILE238D, LEU230B, LEU230D, LEU237B, LEU237D, LEU270B, LEU306B, LEU306D, LYS163B, LYS163D, LYS235B, LYS235D, LYS277B, LYS277D, MET274B, MET274D, MET63B, MET63D, MET94B, MET94D, PHE169B, PHE169D, PHE172B, PHE172D, PHE229B, PHE229D, PHE253B, PRO175B, PRO175D, PRO209B, PRO209D, PRO211B, PRO211D, PRO219B, PRO219D, PRO233B, PRO233D, PRO248B, PRO248D, PRO65B, PRO65D, SER174B, SER174D, SER222B, SER222D, SER241B, SER241D, SER275B, SER275D, SER60B, SER60D, SER61B, SER61D, THR161B, THR161D, THR162B, THR162D, THR216B, THR216D, THR271B, THR271D, THR301B, THR301D, THR307B, THR307D, THR335B, THR64B, THR64D, THR91B, THR91D, THR93B, THR93D, THR97B, THR97D, TRP68B, TRP68D, TYR218B, TYR218D, TYR242B, TYR242D, TYR96B, TYR96D, VAL214B, VAL214D, VAL215B, VAL215D, VAL225B, VAL225D, VAL226B, VAL226D, VAL234B, VAL234D, VAL244B, VAL244D, VAL278B, VAL278D, VAL302B, VAL302D
• C-D: ALA122C, ALA122D, ALA135C, ALA135D, ALA183C, ALA183D, ARG125C, ARG125D, ARG188C, ARG188D, ARG19C, ARG19D, ARG43C, ARG43D, ASN131C, ASN131D, ASN134C, ASN134D, ASN141C, ASN141D, ASN152C, ASN152D, ASN153C, ASN153D, ASP127C, ASP127D, ASP170C, ASP170D, GLN118C, GLN118D, GLN129C, GLN129D, GLN34C, GLN34D, GLU123C, GLU123D, GLU182C, GLU182D, GLU40C, GLU40D, GLU45C, GLU45D, GLY128C, GLY128D, GLY168C, GLY168D, GLY184C, GLY184D, HIS186C, HIS186D, HIS42C, HIS42D, ILE119C, ILE119D, ILE130C, ILE130D, ILE185C, ILE185D, ILE187C, ILE187D, LEU121C, LEU121D, LEU124C, LEU124D, LEU133C, LEU133D, LEU136C, LEU136D, LEU181C, LEU181D, LEU37C, LEU37D, MET38C, MET38D, MET46C, MET46D, PHE150C, PHE150D, PHE151C, PHE151D, PHE169C, PHE169D, PHE41C, PHE41D, PRO120C, PRO120D, PRO39C, PRO39D, PRO44C, PRO44D, PRO47C, PRO47D, SER117C, SER117D, SER126C, SER126D, TYR137C, TYR137D, TYR142C, TYR142D, TYR24C, TYR24D, VAL138C, VAL138D