3SQV

crystal structure of e. coli o157:h7 e3 ubiquitin ligase, nlel, with a human e2, ubch7

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 104
  • Norm. En. per Res.: -1.9593
• 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	-34.5623	11.0562	-379.519	-403.0251	213	15	9	16048	4	29	40
A-C	-13.3189	-35.0637	-155.387	-203.7696	104	8	4	7278	1	43	35
B-D	-4.7298	-24.2341	566.934	537.97	112	15	3	8490	1	51	41

Interface residues

• A-B: ALA318A, ALA318B, ALA396A, ALA396B, ALA397A, ALA397B, ARG399A, ARG399B, ARG483A, ARG484A, ARG484B, ASN257A, ASN257B, ASN274A, ASN274B, ASN276A, ASN276B, ASN279A, ASN279B, ASN300A, ASN300B, ASN369A, ASN369B, ASN441A, ASN441B, ASN442A, ASN442B, ASN480A, ASN480B, ASN560A, ASN560B, ASP237A, ASP237B, ASP372A, ASP372B, ASP373A, ASP373B, ASP393A, ASP393B, ASP430A, ASP430B, ASP431A, ASP431B, ASP434A, ASP434B, ASP555A, ASP555B, CYS256A, CYS256B, CYS259A, CYS259B, CYS429A, CYS429B, GLN240A, GLN240B, GLN294A, GLN294B, GLN476A, GLN476B, GLN605A, GLN605B, GLU255A, GLU255B, GLU273A, GLU273B, GLU301A, GLU301B, GLU449A, GLU449B, GLY317A, GLY317B, HIS600A, ILE298A, ILE298B, ILE319A, ILE319B, ILE412A, ILE412B, ILE428A, ILE428B, ILE436A, ILE436B, ILE444A, ILE444B, ILE594A, ILE594B, ILE597A, ILE597B, LEU238A, LEU238B, LEU299A, LEU299B, LEU315A, LEU315B, LEU366A, LEU366B, LEU392A, LEU392B, LEU395A, LEU395B, LEU557A, LEU557B, LYS359A, LYS359B, LYS374A, LYS374B, LYS379A, LYS379B, LYS601A, LYS601B, MET235A, MET235B, MET368B, MET437A, MET437B, MET445A, MET445B, MET446A, MET446B, MET448A, MET448B, MET553A, MET553B, MET556A, MET556B, PHE258A, PHE258B, PHE277A, PHE277B, PHE398A, PHE398B, PHE432A, PHE432B, PHE433A, PHE433B, PHE440A, PHE440B, PHE595A, PHE595B, PRO296A, PRO296B, PRO297A, PRO297B, PRO400A, PRO400B, PRO427A, PRO427B, PRO559A, PRO559B, PRO593A, PRO593B, PRO598A, PRO598B, SER219A, SER219B, SER236A, SER236B, SER239A, SER239B, SER275A, SER275B, SER278A, SER278B, SER316A, SER316B, SER360A, SER360B, SER371A, SER371B, SER438A, SER438B, SER443A, SER443B, SER558A, SER558B, SER562A, SER562B, SER596A, SER596B, SER604A, THR358A, THR358B, THR370A, THR370B, THR435A, THR435B, THR561A, THR561B, THR563B, TRP439A, TRP439B, TRP565A, TRP565B, TYR260A, TYR260B, TYR295A, TYR295B, TYR357A, TYR357B, TYR401A, TYR401B, TYR447A, TYR447B, TYR459A, TYR459B, TYR470A, TYR470B, TYR599A, TYR599B, VAL314A, VAL314B, VAL554A, VAL554B
• A-C: ALA2C, ALA3C, ALA531A, ALA59C, ALA755A, ALA780A, ALA92C, ALA98C, ARG5C, ARG6C, ARG782A, ASN564A, ASN578A, ASN632A, ASN94C, ASP512A, ASP517A, ASP523A, ASP555A, ASP635A, ASP700A, ASP707A, ASP759A, ASP80C, CYS516A, CYS548A, CYS753A, CYS86C, GLN510A, GLN577A, GLN84C, GLU10C, GLU118C, GLU575A, GLU60C, GLU705A, GLU763A, GLU93C, GLY-1C, GLY514A, GLY518A, GLY581A, GLY703A, HIS119C, HIS552A, LEU121C, LEU515A, LEU530A, LEU570A, LYS100C, LYS633A, LYS64C, LYS67C, LYS695A, LYS96C, LYS9C, MET1C, MET547A, MET566A, MET701A, MET760A, PHE513A, PHE568A, PHE569A, PHE580A, PHE63C, PHE773A, PRO117C, PRO120C, PRO58C, PRO62C, PRO65C, PRO88C, PRO97C, SER0C, SER511A, SER528A, SER549A, SER551A, SER562A, SER567A, SER634A, SER698A, SER699A, SER91C, THR563A, THR579A, THR704A, THR754A, THR758A, THR762A, THR99C, TRP781A, TRP95C, TYR532A, TYR571A, TYR582A, TYR61C, TYR706A, TYR777A, VAL576A, VAL756A, VAL85C, VAL89C
• B-D: ALA123D, ALA126D, ALA2D, ALA3D, ALA531B, ALA59D, ALA755B, ALA92D, ALA98D, ARG122D, ARG5D, ARG6D, ARG782B, ASN564B, ASN578B, ASN632B, ASN78D, ASN94D, ASP512B, ASP517B, ASP523B, ASP527B, ASP529B, ASP555B, ASP635B, ASP700B, ASP707B, ASP739B, ASP759B, ASP80D, CYS516B, CYS548B, CYS753B, CYS86D, GLN510B, GLN577B, GLN84D, GLU10D, GLU118D, GLU575B, GLU60D, GLU705B, GLU763B, GLU93D, GLY-1D, GLY514B, GLY518B, GLY581B, GLY703B, GLY746B, HIS119D, HIS552B, ILE90D, LEU121D, LEU515B, LEU530B, LEU570B, LEU757B, LEU87D, LYS100D, LYS633B, LYS64D, LYS67D, LYS695B, LYS82D, LYS96D, LYS9D, MET1D, MET547B, MET556B, MET566B, MET701B, MET760B, PHE513B, PHE568B, PHE569B, PHE580B, PHE63D, PRO117D, PRO120D, PRO58D, PRO62D, PRO65D, PRO88D, PRO97D, SER0D, SER511B, SER528B, SER549B, SER551B, SER562B, SER567B, SER634B, SER698B, SER699B, SER91D, THR563B, THR579B, THR69D, THR704B, THR754B, THR99D, TRP565B, TRP95D, TYR532B, TYR571B, TYR582B, TYR61D, TYR706B, VAL576B, VAL756B, VAL85D