3PG5

crystal structure of protein dip2308 from corynebacterium diphtheriae, northeast structural genomics consortium target cdr78

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 93
  • Norm. En. per Res.: -3.2263
• 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	-15.0698	-62.8118	-222.163	-300.0446	93	6	2	8785	4	49	36
A-C	-46.7641	-40.8489	-292.245	-379.8581	160	12	3	12266	11	53	38
A-D	-6.9053	34.5805	-58.3427	-30.6675	55	3	1	2830	5	12	19
B-C	-2.1883	38.4725	-78.3068	-42.0226	60	4	1	3367	3	12	22
B-D	-21.7891	-57.3841	-259.42	-338.5932	152	13	2	11408	13	53	38
C-D	-30.2885	-45.9207	-229.519	-305.7282	97	9	3	9191	4	54	43

Interface residues

• A-B: ALA112A, ALA112B, ALA127A, ALA127B, ALA223A, ALA223B, ALA73A, ALA78A, ARG130A, ARG130B, ARG136A, ARG136B, ARG137A, ARG137B, ARG69A, ARG69B, ARG84A, ARG84B, ASN214B, ASP118A, ASP118B, ASP122A, ASP122B, ASP224A, ASP224B, GLN115A, GLN115B, GLN125A, GLN125B, GLN131A, GLN131B, GLN89A, GLN89B, GLU217A, GLU217B, GLU65B, GLU68A, GLU68B, GLU85A, GLU85B, GLU87A, GLU87B, GLY129A, GLY129B, GLY133A, GLY133B, GLY86A, GLY86B, HIS110B, ILE116A, LEU119A, LEU119B, LEU128B, LEU72A, LEU72B, LEU83A, LEU83B, LYS219A, LYS219B, LYS220A, LYS220B, LYS228A, LYS228B, PHE135A, PHE135B, PHE80A, PRO134A, PRO134B, PRO82A, PRO82B, SER121A, SER121B, SER123A, SER123B, SER126A, SER126B, SER222A, SER222B, SER88A, SER88B, THR132A, THR132B, TRP218A, TRP218B, TYR221A, TYR221B, TYR77A, TYR77B, VAL225A, VAL225B, VAL66A, VAL81A, VAL81B
• A-C: ALA112A, ALA112C, ALA192A, ALA192C, ALA202A, ALA202C, ALA266C, ALA44C, ALA67C, ARG170A, ARG170C, ARG198A, ARG198C, ARG269A, ARG269C, ARG273A, ARG273C, ARG280C, ARG69A, ARG69C, ASN195A, ASN195C, ASN43A, ASN43C, ASN63C, ASN8A, ASN8C, ASN9A, ASN9C, ASP118A, ASP118C, ASP122A, ASP122C, ASP186A, ASP186C, ASP37A, ASP37C, ASP39A, ASP39C, ASP60C, ASP64A, ASP64C, CYS42A, CYS42C, GLN115A, GLN115C, GLN125A, GLN125C, GLN206A, GLN41A, GLN41C, GLN46A, GLN46C, GLN53A, GLN53C, GLU117A, GLU117C, GLU277A, GLU51A, GLU51C, GLU52C, GLU55A, GLU55C, GLU65A, GLU65C, GLU68A, GLU68C, GLY109A, GLY109C, GLY11A, GLY11C, GLY12A, GLY12C, GLY162A, GLY162C, GLY166A, GLY166C, GLY194A, GLY194C, GLY61C, HIS110A, HIS110C, HIS191A, HIS191C, ILE57A, ILE57C, LEU113A, LEU113C, LEU165A, LEU165C, LEU187A, LEU187C, LEU196A, LEU196C, LEU47A, LEU47C, LEU49A, LEU49C, LEU59A, LEU59C, LEU62C, LEU72A, LEU72C, LYS10A, LYS10C, LYS15A, PHE188A, PHE188C, PHE190A, PHE190C, PHE193A, PHE193C, PHE270A, PHE270C, PRO108A, PRO108C, PRO111A, PRO111C, PRO163A, PRO163C, PRO167A, PRO167C, PRO40A, PRO40C, SER114A, SER114C, SER121A, SER121C, SER123A, SER123C, SER126A, SER126C, SER164A, SER164C, SER189A, SER189C, SER56A, SER56C, SER71A, SER71C, THR45A, THR45C, THR50A, THR50C, THR54A, THR54C, THR75A, THR75C, TRP124C, TRP199A, TRP199C, TRP203A, TYR252C, TYR58A, TYR58C, TYR77A, TYR77C, VAL13A, VAL253C, VAL264C
• A-D: ALA127A, ALA127D, ALA202A, ALA202D, ALA208A, ALA208D, ALA216D, ARG130A, ARG130D, ARG170A, ARG170D, ARG198A, ARG198D, ASN195A, ASN195D, ASP122A, ASP122D, ASP201A, ASP201D, GLN125A, GLN125D, GLN131A, GLN131D, GLN206A, GLN206D, GLU209A, GLU209D, GLU212A, GLU212D, GLU217A, GLU217D, GLY129A, GLY129D, GLY213A, GLY213D, ILE210A, ILE210D, LEU128A, LEU128D, LYS220A, LYS220D, SER123A, SER126A, SER126D, THR205A, THR205D, TRP124A, TRP124D, TRP199A, TRP203A, TRP203D, TYR207A, TYR207D, TYR221A, VAL204A
• B-C: ALA127B, ALA127C, ALA202B, ALA202C, ALA208B, ALA208C, ALA216B, ARG130B, ARG130C, ARG170B, ARG170C, ARG198B, ARG198C, ARG280C, ASN195B, ASP122B, ASP122C, ASP201B, ASP201C, GLN125B, GLN125C, GLN131B, GLN131C, GLN206B, GLN206C, GLU209B, GLU209C, GLU212B, GLU212C, GLU217B, GLU217C, GLY129B, GLY129C, GLY213B, GLY213C, ILE210B, ILE210C, LEU128B, LEU128C, LYS220B, LYS220C, PHE200B, PRO134B, PRO134C, SER123B, SER123C, SER126B, SER126C, THR205B, THR205C, TRP124B, TRP124C, TRP199B, TRP199C, TRP203B, TRP203C, TYR207B, TYR207C, VAL204B, VAL204C
• B-D: ALA112B, ALA112D, ALA192B, ALA192D, ALA202B, ALA202D, ALA276D, ALA44B, ALA67B, ALA67D, ARG170B, ARG170D, ARG198B, ARG198D, ARG269B, ARG269D, ARG273B, ARG273D, ARG280B, ARG280D, ARG69B, ARG69D, ASN195B, ASN195D, ASN43B, ASN43D, ASN63B, ASN70B, ASN8B, ASN8D, ASN9B, ASN9D, ASP118B, ASP118D, ASP122B, ASP122D, ASP186B, ASP186D, ASP37B, ASP37D, ASP39D, ASP64B, ASP64D, CYS42B, CYS42D, GLN115B, GLN115D, GLN125B, GLN125D, GLN41B, GLN41D, GLN46B, GLN46D, GLN53B, GLN53D, GLU117B, GLU117D, GLU277B, GLU277D, GLU51B, GLU51D, GLU52D, GLU55B, GLU55D, GLU65B, GLU65D, GLU68B, GLU68D, GLY109B, GLY109D, GLY11B, GLY11D, GLY12B, GLY12D, GLY162B, GLY162D, GLY166B, GLY166D, GLY194B, GLY194D, GLY61B, HIS110B, HIS110D, HIS191B, HIS191D, ILE57B, ILE57D, LEU113B, LEU113D, LEU165B, LEU165D, LEU187B, LEU187D, LEU196B, LEU196D, LEU47B, LEU47D, LEU49B, LEU49D, LEU59B, LEU59D, LEU62B, LEU72B, LEU72D, LYS10B, LYS10D, PHE188B, PHE188D, PHE190B, PHE190D, PHE193B, PHE193D, PHE267D, PHE270B, PHE270D, PRO108B, PRO108D, PRO111B, PRO111D, PRO163B, PRO163D, PRO167B, PRO167D, PRO40B, PRO40D, SER114B, SER114D, SER121B, SER121D, SER123D, SER126D, SER164B, SER164D, SER189B, SER189D, SER56D, SER71B, SER71D, THR45B, THR45D, THR50B, THR50D, THR54B, THR54D, THR75B, THR75D, TRP199B, TRP199D, TRP203D, TYR58B, TYR58D, TYR77D
• C-D: ALA112C, ALA112D, ALA127C, ALA127D, ALA223C, ALA223D, ALA73C, ALA78C, ALA78D, ARG130C, ARG130D, ARG136C, ARG136D, ARG137C, ARG137D, ARG69C, ARG69D, ARG84C, ARG84D, ASN214C, ASN214D, ASN70D, ASP118C, ASP118D, ASP122C, ASP122D, ASP224C, ASP224D, GLN115C, GLN115D, GLN125C, GLN125D, GLN131C, GLN131D, GLN89C, GLN89D, GLU117D, GLU217C, GLU217D, GLU226C, GLU65C, GLU65D, GLU68D, GLU85C, GLU85D, GLU87C, GLU87D, GLY129C, GLY129D, GLY133C, GLY133D, GLY86C, GLY86D, ILE116C, ILE116D, LEU119C, LEU119D, LEU72C, LEU72D, LEU83C, LEU83D, LYS219C, LYS219D, LYS220C, LYS220D, LYS228C, LYS228D, PHE135C, PHE135D, PHE80C, PHE80D, PRO134C, PRO134D, PRO82C, PRO82D, SER121C, SER121D, SER123C, SER123D, SER126C, SER126D, SER222C, SER222D, SER88C, SER88D, THR132C, THR132D, TRP218C, TRP218D, TYR221C, TYR221D, TYR77C, TYR77D, VAL225C, VAL66D, VAL81C, VAL81D