3SLB

crystal structure of ba2930 in complex with accoa and cytosine

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 15
  • Norm. En. per Res.: -3.3636
• 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-D	-12.9414	0.0	-37.5126	-50.454	15	2	0	994	0	1	1
A-C	0.0	-28.7505	-26.4521	-55.2026	38	1	0	1555	1	17	25
A-B	0.0	3.3037	-333.255	-329.9513	146	3	8	14648	0	20	19
D-C	0.0	3.3907	-327.945	-324.5543	144	1	8	14549	0	20	21
D-B	-12.5959	-5.252	-57.8626	-75.7105	68	1	0	2882	2	25	23
C-B	-3.7954	-2.658	-23.3857	-29.8392	27	0	0	1109	0	3	2

Interface residues

• A-D: ALA0A, ALA6A, ALA99D, ARG207D, ASN-1A, ASN204D, ASN2A, ASP3A, GLU101D, GLU203D, GLU206D, GLY205D, ILE202D, SER-2A, VAL5A
• A-C: ALA140C, ARG108A, ARG125C, ARG138C, ARG82A, ASN127C, ASN146C, ASN204C, ASP177A, ASP220A, GLU141C, GLU142C, GLU203C, GLU206C, GLU224A, GLU87A, GLU88A, GLY205C, HIS103C, HIS139C, HIS79A, ILE202C, LEU165C, LYS221A, LYS78A, PRO102C, PRO83A, PRO84A, PRO86A, SER126C, SER219A, SER81A, THR144C, TRP80A, TRP90A, VAL124C, VAL145C, VAL223A
• A-B: ALA0A, ALA0B, ALA109B, ALA48A, ALA48B, ALA50A, ALA50B, ALA54A, ALA6A, ALA6B, ALA99A, ALA99B, ARG108A, ARG108B, ARG118A, ARG118B, ARG207A, ARG207B, ARG82A, ARG82B, ARG94A, ARG94B, ASN-1A, ASN122A, ASN122B, ASN12A, ASN12B, ASN242A, ASN2A, ASN2B, ASN96A, ASN96B, ASP3A, ASP3B, ASP73A, ASP73B, ASP95A, ASP95B, CYS116A, CYS116B, GLN91A, GLN91B, GLN9A, GLN9B, GLU101A, GLU101B, GLU115A, GLU115B, GLU53A, GLU53B, GLU88A, GLU88B, GLY42A, GLY42B, GLY46A, GLY46B, GLY47A, GLY47B, HIS103A, HIS103B, ILE104A, ILE104B, ILE14A, ILE14B, ILE44A, ILE44B, ILE4A, ILE4B, ILE92A, ILE92B, ILE93A, ILE93B, LEU10A, LEU10B, LEU38B, LEU74A, LEU74B, LYS112A, LYS112B, LYS15A, LYS15B, PHE100A, PHE100B, PHE117A, PHE117B, PRO102B, PRO106A, PRO106B, PRO11A, PRO11B, PRO121A, PRO121B, PRO200A, PRO200B, PRO77A, PRO77B, PRO83A, PRO83B, PRO84A, PRO84B, PRO86A, PRO86B, PRO98A, PRO98B, SER-2A, SER45A, SER45B, SER7A, SER7B, SER81A, SER81B, THR105A, THR105B, THR107A, THR107B, THR119A, THR119B, THR13A, THR13B, THR16A, THR16B, THR8A, THR8B, TRP209A, TRP43A, TRP43B, TRP80A, TRP80B, TRP89A, TRP89B, TRP90A, TRP90B, TYR120A, TYR120B, VAL49A, VAL49B, VAL51A, VAL51B, VAL52A, VAL52B, VAL5A, VAL5B, VAL85A, VAL85B, VAL97A, VAL97B
• D-C: ALA0C, ALA0D, ALA48C, ALA48D, ALA50C, ALA50D, ALA54C, ALA54D, ALA6C, ALA6D, ALA99C, ALA99D, ARG108C, ARG108D, ARG118C, ARG118D, ARG125C, ARG207C, ARG207D, ARG82C, ARG82D, ARG94C, ARG94D, ASN122C, ASN12C, ASN12D, ASN242D, ASN2C, ASN2D, ASN96C, ASN96D, ASP3C, ASP3D, ASP73C, ASP73D, ASP95C, ASP95D, CYS116C, CYS116D, GLN91C, GLN91D, GLN9C, GLN9D, GLU101C, GLU101D, GLU115C, GLU115D, GLU53C, GLU53D, GLU88C, GLU88D, GLY42C, GLY42D, GLY46C, GLY46D, GLY47C, GLY47D, HIS103C, HIS103D, ILE104C, ILE104D, ILE14C, ILE14D, ILE44C, ILE44D, ILE4C, ILE4D, ILE92C, ILE92D, ILE93C, ILE93D, LEU10C, LEU10D, LEU38D, LEU74C, LEU74D, LYS112C, LYS112D, LYS15C, LYS15D, PHE100C, PHE100D, PHE117C, PHE117D, PRO102D, PRO106C, PRO106D, PRO11C, PRO11D, PRO121C, PRO121D, PRO200C, PRO200D, PRO77C, PRO77D, PRO83C, PRO83D, PRO84C, PRO84D, PRO86C, PRO86D, PRO98C, PRO98D, SER45C, SER45D, SER7C, SER7D, SER81C, SER81D, THR105C, THR105D, THR107C, THR107D, THR119C, THR119D, THR13C, THR13D, THR16C, THR16D, THR8C, THR8D, TRP209D, TRP43C, TRP43D, TRP80C, TRP80D, TRP89C, TRP89D, TRP90C, TRP90D, TYR120C, TYR120D, VAL49C, VAL49D, VAL51C, VAL51D, VAL52C, VAL52D, VAL5C, VAL5D, VAL85C, VAL85D, VAL97C, VAL97D
• D-B: ALA0B, ALA140D, ALA243B, ALA6B, ARG138D, ARG160D, ARG246B, ARG82B, ASN-1B, ASN122D, ASN146D, ASN204D, ASN242B, ASN2B, ASP164D, ASP177B, ASP220B, ASP3B, GLN231B, GLN9B, GLU141D, GLU142D, GLU156D, GLU203D, GLU206D, GLU224B, GLU230B, GLU61D, GLU62D, GLY137D, GLY173B, GLY175B, GLY205D, GLY241B, GLY42B, HIS103D, HIS139D, ILE104D, ILE143D, ILE41B, ILE4B, LEU165D, LYS161D, LYS239B, LYS244B, PRO102D, PRO121D, PRO83B, PRO84B, SER-2B, SER39B, SER40B, SER7B, SER81B, THR119D, THR64D, THR8B, TRP136D, TRP80B, TYR120D, TYR176B, VAL123D, VAL124D, VAL145D, VAL174B, VAL223B, VAL227B, VAL5B
• C-B: ALA0B, ALA135C, ALA6B, ARG118C, ARG125C, ASN-1B, ASN122C, ASN2B, ASP3B, GLN9B, GLU101C, GLU141C, GLY205C, HIS103C, ILE104C, ILE202C, LEU10B, PRO102C, PRO121C, SER-2B, SER7B, THR119C, THR8B, TYR120C, VAL123C, VAL124C, VAL5B