3PNB

phosphopantetheine adenylyltransferase from mycobacterium tuberculosis in complex with coenzyme a

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 99
  • Norm. En. per Res.: -2.8598
• 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	-8.9816	7.065	-65.862	-67.7787	55	12	0	3214	2	13	16
A-D	-44.1409	-2.7395	-226.554	-273.4344	100	14	10	9493	2	12	22
B-C	-47.659	-5.0318	-230.431	-283.1217	99	15	10	9819	2	12	22
B-D	0.0	0.0	-0.0041	-0.0041	2	0	0	2	0	0	1

Interface residues

• A-B: ALA52B, ARG65A, ARG65B, ARG78A, ARG78B, ASN63A, ASN63B, ASP29A, ASP29B, ASP48B, ASP75A, CYS80A, CYS80B, GLN67A, GLN67B, GLU30A, GLU30B, GLU56B, GLY69A, GLY71A, GLY81A, GLY81B, HIS60B, HIS70A, HIS70B, ILE51A, ILE51B, LEU47A, LEU47B, LEU61B, LEU64A, LEU64B, LYS55A, LYS55B, MET1A, MET1B, MET82A, MET82B, PHE76A, PHE76B, PRO62A, PRO62B, SER79A, SER79B, THR59B, VAL31A, VAL31B, VAL32A, VAL32B, VAL66A, VAL66B, VAL68A, VAL68B, VAL77A, VAL77B
• A-D: ALA102A, ALA102D, ALA117A, ALA117D, ALA119A, ALA119D, ALA24A, ALA24D, ALA25A, ALA25D, ALA26A, ALA26D, ALA4A, ALA4D, ALA84A, ALA84D, ARG121A, ARG121D, ARG23A, ARG23D, ARG90A, ARG90D, ASN63A, ASN63D, ASP112A, ASP112D, ASP19A, ASP19D, ASP29A, ASP29D, GLN100A, GLN100D, GLN103A, GLN103D, GLN27A, GLN27D, GLU22A, GLU22D, GLU30A, GLU30D, GLU96A, GLU96D, GLU98A, GLU98D, GLY110A, GLY110D, GLY3A, GLY3D, HIS107A, HIS107D, ILE20A, ILE20D, ILE85A, ILE85D, LEU89A, LEU89D, LEU99A, LEU99D, LYS106A, LYS106D, LYS87A, LYS87D, MET104A, MET104D, MET1A, MET1D, MET82A, MET82D, PHE114A, PHE114D, PHE115A, PHE115D, PHE28A, PHE28D, PHE95A, PHE95D, PRO120A, PRO120D, SER123A, SER123D, THR113A, THR113D, THR118A, THR118D, THR2A, THR2D, THR83A, THR83D, THR91A, THR91D, THR93A, THR93D, VAL111A, VAL111D, VAL116A, VAL116D, VAL77A, VAL77D, VAL86A, VAL86D
• B-C: ALA102B, ALA102C, ALA117B, ALA117C, ALA119B, ALA119C, ALA24B, ALA24C, ALA25B, ALA25C, ALA26B, ALA26C, ALA4B, ALA4C, ALA84B, ALA84C, ARG121B, ARG121C, ARG23B, ARG23C, ARG78C, ARG90B, ARG90C, ASN63B, ASN63C, ASP112B, ASP112C, ASP19B, ASP19C, ASP29B, ASP29C, GLN100B, GLN100C, GLN103B, GLN103C, GLN27B, GLN27C, GLU22B, GLU22C, GLU30B, GLU30C, GLU96B, GLU98B, GLU98C, GLY110B, GLY110C, GLY3B, GLY3C, HIS107B, HIS107C, ILE20B, ILE20C, ILE85B, ILE85C, LEU89B, LEU89C, LEU99B, LEU99C, LYS106B, LYS106C, LYS87B, LYS87C, MET104B, MET1B, MET1C, MET82B, MET82C, PHE114B, PHE114C, PHE115B, PHE115C, PHE28B, PHE28C, PHE95B, PHE95C, PRO120B, PRO120C, SER123B, SER123C, THR113B, THR113C, THR118B, THR118C, THR2B, THR2C, THR83B, THR83C, THR91B, THR91C, THR93B, THR93C, VAL111B, VAL111C, VAL116B, VAL116C, VAL77B, VAL77C, VAL86B, VAL86C
• B-D: ASP48B, MET1D