3TAX

a neutral diphosphate mimic crosslinks the active site of human o- glcnac transferase

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 88
  • Norm. En. per Res.: -2.4889
• 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	-25.5395	0.0	-197.819	-223.3585	91	5	3	7079	0	0	0
A-C	-28.1924	-30.4661	-208.791	-267.4495	114	8	0	8126	2	26	31
C-D	-20.5117	0.0	-198.512	-219.0237	88	5	3	7063	0	0	0

Interface residues

• A-B: ALA23B, ALA636A, ALA808A, ALA870A, ALA896A, ARG637A, ARG867A, ARG904A, ASN24B, ASN458A, ASN557A, ASN630A, ASN638A, ASN805A, ASP431A, ASP454A, ASP554A, ASP587A, CYS457A, CYS521A, GLN399A, GLN486A, GLN839A, GLU397A, GLU639A, GLU899A, GLU900A, GLY15B, GLY16B, GLY556A, GLY631A, GLY635A, GLY654A, HIS461A, HIS496A, HIS498A, HIS499A, HIS517A, HIS558A, HIS562A, HIS901A, HIS920A, ILE428A, ILE513A, LEU492A, LEU520A, LEU563A, LEU866A, LYS396A, LYS430A, LYS524A, LYS634A, LYS842A, LYS898A, MET25B, MET26B, MET501A, PHE591A, PHE868A, PRO14B, PRO19B, PRO493A, PRO497A, PRO559A, PRO656A, PRO894A, PRO897A, SER17B, SER21B, SER22B, SER427A, SER494A, SER500A, SER553A, SER893A, THR18B, THR560A, THR589A, THR633A, THR800A, THR801A, THR809A, THR921A, THR922A, TYR13B, TYR632A, TYR655A, TYR841A, VAL20B, VAL495A, VAL895A
• A-C: ALA597A, ALA597C, ALA599A, ALA599C, ALA733A, ALA733C, ARG1008A, ARG1008C, ARG545A, ARG545C, ARG815A, ARG815C, ASN572A, ASN572C, ASN590A, ASN590C, ASN600A, ASN600C, ASN790A, ASN790C, ASN804A, ASN804C, ASN998A, ASN998C, ASP543A, ASP543C, ASP574A, ASP574C, ASP730A, ASP730C, GLN1001A, GLN1001C, GLN784A, GLN786A, GLN786C, GLN802A, GLN802C, GLU1007A, GLU1007C, GLU598A, GLU598C, GLU812A, GLU812C, GLY569A, GLY569C, GLY791A, GLY791C, HIS571A, HIS571C, ILE567A, ILE567C, ILE729A, ILE729C, ILE785A, ILE785C, ILE787A, ILE787C, ILE789A, ILE789C, ILE794A, ILE794C, ILE803A, ILE803C, ILE817A, ILE817C, ILE992A, ILE992C, LEU1011A, LEU1011C, LEU731A, LEU731C, LYS1000A, LYS1000C, LYS575A, LYS575C, LYS594A, LYS594C, LYS732A, LYS732C, LYS806A, LYS806C, MET1004A, MET1004C, MET570A, MET570C, PHE576A, PHE576C, PHE734A, PHE734C, PHE792A, PHE792C, PRO568A, PRO568C, PRO573A, PRO573C, SER566A, SER566C, SER737A, SER737C, SER793A, SER793C, SER795A, SER795C, SER993C, THR788A, THR788C, THR816A, THR816C, THR999A, THR999C, VAL593A, VAL593C, VAL813A, VAL813C
• C-D: ALA23D, ALA636C, ALA808C, ALA870C, ALA896C, ARG637C, ARG867C, ARG904C, ASN24D, ASN458C, ASN557C, ASN630C, ASN638C, ASN805C, ASP431C, ASP454C, ASP554C, ASP587C, CYS457C, CYS521C, GLN399C, GLN486C, GLN839C, GLU397C, GLU639C, GLU900C, GLY15D, GLY16D, GLY556C, GLY631C, GLY635C, GLY654C, HIS461C, HIS496C, HIS498C, HIS499C, HIS517C, HIS558C, HIS562C, HIS901C, HIS920C, ILE428C, ILE513C, LEU492C, LEU520C, LEU563C, LEU866C, LYS396C, LYS430C, LYS524C, LYS634C, LYS842C, LYS898C, MET25D, MET26D, MET501C, PHE591C, PHE868C, PRO14D, PRO19D, PRO493C, PRO497C, PRO559C, PRO656C, PRO894C, PRO897C, SER17D, SER21D, SER22D, SER427C, SER494C, SER500C, SER893C, THR18D, THR560C, THR589C, THR633C, THR801C, THR809C, THR921C, THR922C, TYR13D, TYR632C, TYR655C, TYR841C, VAL20D, VAL495C, VAL895C