3NBK

phosphopantetheine adenylyltransferase from mycobacterium tuberculosis in complex with 4'-phosphopantetheine

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 121
  • Norm. En. per Res.: -4.1857
• 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	-46.8858	-21.6362	-244.682	-313.2039	104	8	10	9865	2	16	23
A-C	0.0	0.0	-1.1141	-1.1141	5	0	0	62	0	3	1
B-C	-10.37	-27.9385	-82.6612	-120.9697	64	6	0	3615	1	18	18
B-D	-19.8699	-9.8336	-44.0324	-73.7359	19	4	0	1508	0	5	4
C-D	-104.8703	-26.0272	-375.573	-506.4706	121	18	10	13812	2	22	28

Interface residues

• A-B: ALA102A, ALA102B, ALA117A, ALA117B, ALA119A, ALA119B, ALA24A, ALA24B, ALA25A, ALA25B, ALA26A, ALA26B, ALA4A, ALA4B, ALA84A, ALA84B, ARG121A, ARG121B, ARG23A, ARG23B, ARG90A, ARG90B, ASN63A, ASN63B, ASP112A, ASP112B, ASP19A, ASP19B, ASP29A, ASP29B, CB7.50682-16.47838, GLN100A, GLN100B, GLN103A, GLN103B, GLN27A, GLN27B, GLU22A, GLU22B, GLU30A, GLU30B, GLU96A, GLU96B, GLU98A, GLU98B, GLY110A, GLY110B, GLY3A, GLY3B, HIS0A, HIS0A5, HIS0B, HIS107A, HIS107B, ILE20A, ILE20B, ILE85A, ILE85B, LEU89A, LEU89B, LEU99A, LEU99B, LYS106A, LYS106B, LYS87A, LYS87B, MET1A, MET1B, MET82A, MET82B, PHE114A, PHE114B, PHE115A, PHE115B, PHE28A, PHE28B, PHE95A, PHE95B, PRO120A, PRO120B, SER123A, SER123B, THR113A, THR113B, THR118A, THR118B, THR2A, THR2B, THR83A, THR83B, THR91A, THR91B, THR93A, THR93B, TYR122A, TYR122B, VAL111A, VAL111B, VAL116A, VAL116B, VAL77A, VAL77B, VAL86A, VAL86B
• A-C: ASP48C, HIS0A, HIS70C, LEU47C, VAL68C
• B-C: ALA52B, ARG-3C, ARG151B, ARG50B, ARG65B, ARG65C, ARG78B, ARG78C, ASN63B, ASN63C, ASP29B, ASP29C, ASP46B, ASP48B, ASP75C, CYS80B, CYS80C, GLN67B, GLN67C, GLU30B, GLU30C, GLU49B, GLU56B, GLY-2C, GLY69C, GLY71C, GLY81B, GLY81C, HIS0B, HIS0C, HIS70B, HIS70C, ILE35B, ILE51B, ILE51C, LEU47B, LEU47C, LEU61B, LEU64B, LEU64C, LYS55B, LYS55C, MET1B, MET1C, MET82B, MET82C, PHE45B, PHE76B, PHE76C, PRO62B, PRO62C, SER79B, SER79C, THR59B, VAL31B, VAL31C, VAL32B, VAL32C, VAL66B, VAL66C, VAL68B, VAL68C, VAL77B, VAL77C
• B-D: ALA52B, ARG-3D, ARG50B, ASP46B, ASP48B, GLN67B, GLU49B, GLY-2D, GLY69B, HIS70B, ILE35B, ILE51B, LEU47B, LYS55B, PRO-4D, SER-1D, VAL-5D, VAL37B, VAL68B
• C-D: ALA102C, ALA102D, ALA117C, ALA117D, ALA119C, ALA119D, ALA24C, ALA24D, ALA25C, ALA25D, ALA26C, ALA26D, ALA4C, ALA4D, ALA84C, ALA84D, ARG-3C, ARG-3D, ARG121C, ARG121D, ARG23C, ARG23D, ARG78D, ARG90C, ARG90D, ASN105C, ASN63C, ASN63D, ASP112C, ASP112D, ASP19C, ASP19D, ASP29C, ASP29D, GLN100C, GLN100D, GLN103C, GLN103D, GLN27C, GLN27D, GLU22C, GLU22D, GLU30C, GLU30D, GLU96C, GLU96D, GLU98C, GLU98D, GLY-2C, GLY-2D, GLY110C, GLY110D, GLY3C, GLY3D, GLY88C, HIS0C, HIS0D, HIS107C, HIS107D, ILE20C, ILE20D, ILE85C, ILE85D, LEU89C, LEU89D, LEU99C, LEU99D, LYS106C, LYS106D, LYS87C, LYS87D, MET104C, MET104D, MET1C, MET1D, MET82C, MET82D, PHE114C, PHE114D, PHE115C, PHE115D, PHE28C, PHE28D, PHE95C, PHE95D, PRO-4C, PRO-4D, PRO120C, PRO120D, PRO62C, PRO62D, SER-1C, SER-1D, SER123C, SER123D, THR113C, THR113D, THR118C, THR118D, THR2C, THR2D, THR83C, THR83D, THR91C, THR91D, THR93C, THR93D, TYR122C, TYR122D, VAL-5D, VAL111C, VAL111D, VAL116C, VAL116D, VAL31C, VAL31D, VAL5D, VAL77C, VAL77D, VAL86C, VAL86D