3GOS

the crystal structure of 2,3,4,5-tetrahydropyridine-2-carboxylate n- succinyltransferase from yersinia pestis co92

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 176
  • Norm. En. per Res.: -3.9435
• 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	-74.0132	-70.5792	-503.136	-647.7284	183	18	15	19606	5	35	35
A-C	-89.3821	-51.3161	-553.359	-694.0573	176	17	15	21016	4	32	34
B-C	-90.6232	-51.1311	-532.627	-674.3813	179	17	14	20042	3	35	34

Interface residues

• A-B: ALA109A, ALA109B, ALA144A, ALA144B, ALA173A, ALA186A, ALA186B, ALA250B, ALA78A, ALA78B, ALA91B, ALA96B, ARG100B, ARG104B, ARG112A, ARG187A, ARG187B, ARG213A, ARG213B, ARG217B, ARG271B, ARG81A, ARG81B, ARG97B, ASN120B, ASN129A, ASN237A, ASN237B, ASN267B, ASN70A, ASN72A, ASP141B, ASP242A, ASP274B, ASP71A, ASP84A, ASP94B, CYS249A, CYS249B, GLN172A, GLN210A, GLN73A, GLN99B, GLU101B, GLU169A, GLU189A, GLU192A, GLU218B, GLU268B, GLU76A, GLU76B, GLU79A, GLU79B, GLU95B, GLY102B, GLY147A, GLY160A, GLY160B, GLY161A, GLY161B, GLY163A, GLY165A, GLY166A, GLY185B, GLY193A, GLY205A, GLY205B, GLY209A, GLY220B, GLY225A, GLY236A, GLY236B, GLY243A, GLY243B, GLY265B, GLY77A, GLY77B, GLY92B, ILE130A, ILE164A, ILE208A, ILE252B, ILE266B, ILE273B, LEU123B, LEU168A, LEU171A, LEU238A, LEU238B, LEU247A, LEU247B, LEU269B, LEU270B, LYS241A, LYS263B, LYS85A, LYS89B, MET124A, MET124B, MET204B, MET75A, MET75B, MET88A, MET88B, PHE103B, PHE183B, PHE207A, PHE207B, PHE67A, PHE90B, PHE98B, PRO107A, PRO107B, PRO108A, PRO108B, PRO125A, PRO125B, PRO170A, PRO239A, PRO239B, PRO87A, PRO87B, SER126A, SER126B, SER148A, SER159A, SER159B, SER188A, SER188B, SER203B, SER211A, SER235A, SER235B, SER240A, SER244A, SER246A, SER246B, SER262B, THR110A, THR110B, THR121B, THR142A, THR142B, THR145A, THR212A, THR272B, THR80A, THR80B, TRP143A, TRP143B, TYR127A, TYR215B, TYR224A, TYR245A, TYR248A, TYR248B, TYR82A, TYR82B, TYR83A, TYR93B, VAL105B, VAL106A, VAL106B, VAL111A, VAL111B, VAL122B, VAL128A, VAL146A, VAL162A, VAL167A, VAL190A, VAL191A, VAL194A, VAL206A, VAL206B, VAL233B, VAL234B, VAL251B, VAL253B, VAL264B, VAL74A, VAL74B, VAL86A
• A-C: ALA109A, ALA109C, ALA144A, ALA144C, ALA186A, ALA186C, ALA250A, ALA78A, ALA78C, ALA91A, ALA96A, ARG100A, ARG104A, ARG112A, ARG112C, ARG187A, ARG187C, ARG213A, ARG213C, ARG217A, ARG271A, ARG81A, ARG81C, ARG97A, ASN120A, ASN129C, ASN237A, ASN237C, ASN267A, ASN72C, ASP141A, ASP141C, ASP242C, ASP274A, ASP71C, ASP84C, ASP94A, CYS249A, CYS249C, GLN210C, GLN73C, GLN99A, GLU101A, GLU189C, GLU192C, GLU218A, GLU268A, GLU76A, GLU76C, GLU79A, GLU79C, GLU95A, GLY102A, GLY147C, GLY160A, GLY160C, GLY161A, GLY161C, GLY163C, GLY165C, GLY166C, GLY185A, GLY205A, GLY205C, GLY209C, GLY220A, GLY225C, GLY236A, GLY236C, GLY243A, GLY243C, GLY77A, GLY77C, GLY92A, ILE130C, ILE164C, ILE208C, ILE252A, ILE266A, ILE273A, LEU123A, LEU238A, LEU238C, LEU247A, LEU247C, LEU269A, LEU270A, LYS241C, LYS85C, LYS89A, MET124A, MET124C, MET139A, MET204A, MET75A, MET75C, MET88A, MET88C, PHE103A, PHE183A, PHE207A, PHE207C, PHE67C, PHE90A, PHE98A, PRO107A, PRO107C, PRO108A, PRO108C, PRO125A, PRO125C, PRO170C, PRO239A, PRO239C, PRO87A, PRO87C, SER126A, SER126C, SER148C, SER159A, SER159C, SER188A, SER188C, SER203A, SER211C, SER235A, SER235C, SER240C, SER244C, SER246A, SER246C, THR110A, THR110C, THR121A, THR142A, THR142C, THR145C, THR212C, THR272A, THR80A, THR80C, TRP143A, TRP143C, TYR127C, TYR215A, TYR224C, TYR245C, TYR248A, TYR248C, TYR82A, TYR82C, TYR83C, TYR93A, VAL105A, VAL106A, VAL106C, VAL111A, VAL111C, VAL122A, VAL128C, VAL146C, VAL162C, VAL167C, VAL190C, VAL191C, VAL194C, VAL206A, VAL206C, VAL222C, VAL233A, VAL234A, VAL251A, VAL253A, VAL74A, VAL74C, VAL86C
• B-C: ALA109B, ALA109C, ALA144B, ALA144C, ALA173B, ALA186B, ALA186C, ALA250C, ALA78B, ALA78C, ALA91C, ALA96C, ARG100C, ARG104C, ARG112B, ARG187B, ARG187C, ARG213B, ARG217C, ARG271C, ARG81B, ARG81C, ARG97C, ASN120C, ASN129B, ASN237B, ASN237C, ASN267C, ASN72B, ASP141B, ASP141C, ASP242B, ASP274C, ASP71B, ASP84B, ASP94C, CYS249B, CYS249C, GLN210B, GLN73B, GLN99C, GLU101C, GLU169B, GLU189B, GLU192B, GLU218C, GLU268C, GLU76B, GLU76C, GLU79B, GLU79C, GLU95C, GLY102C, GLY147B, GLY160B, GLY160C, GLY161B, GLY161C, GLY163B, GLY165B, GLY166B, GLY185C, GLY193B, GLY205B, GLY205C, GLY209B, GLY220C, GLY225B, GLY236B, GLY236C, GLY243B, GLY243C, GLY77B, GLY77C, GLY92C, ILE130B, ILE164B, ILE208B, ILE252C, ILE266C, ILE273C, LEU123C, LEU168B, LEU238B, LEU238C, LEU247B, LEU247C, LEU269C, LEU270C, LYS241B, LYS263C, LYS85B, LYS89C, MET124B, MET124C, MET139C, MET204C, MET75B, MET75C, MET88B, MET88C, PHE103C, PHE183C, PHE207B, PHE207C, PHE67B, PHE90C, PHE98C, PRO107B, PRO107C, PRO108B, PRO108C, PRO125B, PRO125C, PRO170B, PRO239B, PRO239C, PRO87B, PRO87C, SER126B, SER126C, SER148B, SER159C, SER188B, SER188C, SER203C, SER211B, SER235B, SER235C, SER240B, SER240C, SER244B, SER246B, SER246C, THR110B, THR110C, THR142B, THR142C, THR145B, THR212B, THR272C, THR80B, THR80C, TRP143B, TRP143C, TYR127B, TYR215C, TYR224B, TYR245B, TYR248B, TYR248C, TYR82B, TYR82C, TYR83B, TYR93C, VAL105C, VAL106B, VAL106C, VAL111B, VAL111C, VAL122C, VAL128B, VAL140B, VAL146B, VAL162B, VAL167B, VAL190B, VAL191B, VAL194B, VAL206B, VAL206C, VAL233C, VAL234C, VAL251C, VAL253C, VAL264C, VAL74B, VAL74C, VAL86B