3NBA

phosphopantetheine adenylyltranferase from mycobacterium tuberculosis in complex with adenosine-5'-[(alpha,beta)-methyleno]triphosphate (ampcpp)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-D
  • Int. Res.: 112
  • Norm. En. per Res.: -3.544
• Hub Node: A(1)

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-C	-53.3447	-32.9633	-298.471	-384.7791	111	15	13	12245	4	15	24
B-D	-58.1738	-32.5838	-306.168	-396.9256	112	12	13	12127	4	14	24
C-D	0.0	9.6545	-48.9954	-39.3409	52	4	0	2647	0	14	13

Interface residues

• A-C: ALA102A, ALA102C, ALA117A, ALA117C, ALA119A, ALA119C, ALA24A, ALA24C, ALA25A, ALA25C, ALA26A, ALA26C, ALA4A, ALA4C, ALA84A, ALA84C, ARG121A, ARG121C, ARG23A, ARG23C, ARG90A, ARG90C, ASN63A, ASN63C, ASP112A, ASP112C, ASP19A, ASP19C, ASP29A, ASP29C, ASP94A, ASP94C, GLN100A, GLN100C, GLN103A, GLN103C, GLN27A, GLN27C, GLU22A, GLU22C, GLU30A, GLU30C, GLU96A, GLU96C, GLU98A, GLU98C, GLY110A, GLY110C, GLY3A, GLY3C, GLY88A, GLY88C, GLY92A, GLY92C, HIS107A, HIS107C, ILE20A, ILE20C, ILE85A, ILE85C, LEU89A, LEU89C, LEU99A, LEU99C, LYS106A, LYS106C, LYS87A, LYS87C, MET104A, MET104C, MET1A, MET1C, MET82A, MET82C, PHE114A, PHE114C, PHE115A, PHE115C, PHE28A, PHE28C, PHE95A, PHE95C, PRO120A, PRO120C, SER123A, SER123C, THR113A, THR113C, THR118A, THR118C, THR2A, THR2C, THR83A, THR83C, THR91A, THR91C, THR93A, THR93C, TYR122A, TYR122C, TYR97A, TYR97C, VAL111A, VAL111C, VAL116A, VAL116C, VAL31A, VAL77A, VAL77C, VAL86A, VAL86C
• B-D: ALA102B, ALA102D, ALA117B, ALA117D, ALA119B, ALA119D, ALA24B, ALA24D, ALA25B, ALA25D, ALA26B, ALA26D, ALA4B, ALA4D, ALA84B, ALA84D, ARG121B, ARG121D, ARG23B, ARG23D, ARG90B, ARG90D, ASN63B, ASN63D, ASP112B, ASP112D, ASP19B, ASP19D, ASP29B, ASP29D, ASP94B, ASP94D, GLN100B, GLN100D, GLN103B, GLN103D, GLN27B, GLN27D, GLU22B, GLU22D, GLU30B, GLU30D, GLU96B, GLU96D, GLU98B, GLU98D, GLY110B, GLY110D, GLY3B, GLY3D, GLY88B, GLY88D, GLY92B, GLY92D, HIS107B, HIS107D, ILE20B, ILE20D, ILE85B, ILE85D, LEU89B, LEU89D, LEU99B, LEU99D, LYS106B, LYS106D, LYS87B, LYS87D, MET101B, MET104B, MET104D, MET1B, MET1D, MET82B, MET82D, PHE114B, PHE114D, PHE115B, PHE115D, PHE28B, PHE28D, PHE95B, PHE95D, PRO120B, PRO120D, SER123B, SER123D, THR113B, THR113D, THR118B, THR118D, THR2B, THR2D, THR83B, THR83D, THR91B, THR91D, THR93B, THR93D, TYR122B, TYR122D, TYR97B, TYR97D, VAL111B, VAL111D, VAL116B, VAL116D, VAL31B, VAL77B, VAL77D, VAL86B, VAL86D
• C-D: ARG65C, ARG65D, ARG78C, ARG78D, ASN63C, ASN63D, ASP29C, ASP29D, ASP48C, ASP75D, CYS80C, CYS80D, GLN67C, GLN67D, GLU30C, GLU30D, GLY69D, GLY71D, GLY81C, GLY81D, HIS70C, HIS70D, ILE51C, ILE51D, LEU47C, LEU61C, LEU61D, LEU64C, LEU64D, LYS55C, LYS55D, MET1C, MET1D, MET82C, MET82D, PHE76C, PHE76D, PRO62C, PRO62D, SER79C, SER79D, THR59C, VAL31C, VAL31D, VAL32C, VAL32D, VAL66C, VAL66D, VAL68C, VAL68D, VAL77C, VAL77D