3I54

crystal structure of mtbcrp in complex with camp

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 140
  • Norm. En. per Res.: -4.9928
• 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	-71.149	-208.2356	-419.602	-698.9867	140	21	26	18448	16	39	41
A-C	-20.9207	-3.864	-143.089	-167.8737	93	5	0	5914	4	42	42
A-D	0.0	0.0	-0.0803	-0.0803	5	0	0	27	0	4	2
C-D	-49.703	-175.3461	-371.267	-596.3161	138	21	21	17531	9	41	46

Interface residues

• A-B: ALA114A, ALA114B, ALA128A, ALA128B, ALA139A, ALA139B, ALA181B, ALA186B, ALA223B, ALA61A, ARG106A, ARG106B, ARG110A, ARG110B, ARG116A, ARG116B, ARG125A, ARG125B, ARG129A, ARG129B, ARG130A, ARG130B, ARG132A, ARG132B, ARG133A, ARG133B, ARG149A, ARG149B, ARG59A, ARG59B, ARG60A, ARG60B, ARG65A, ARG89A, ARG89B, ASN135A, ASN135B, ASN136A, ASN136B, ASN137A, ASN137B, ASN67A, ASN67B, ASP140A, ASP140B, ASP145B, ASP63A, ASP85A, ASP85B, GLN122A, GLN122B, GLN182A, GLN182B, GLU118A, GLU118B, GLU121A, GLU121B, GLU40A, GLU40B, GLU42A, GLU66A, GLU80A, GLU80B, GLY185A, GLY185B, GLY41A, GLY44A, GLY44B, GLY58A, GLY64A, GLY79A, GLY79B, GLY87A, GLY87B, ILE10A, ILE113A, ILE113B, ILE119A, ILE119B, ILE142A, ILE142B, ILE57A, ILE57B, ILE83A, ILE83B, LEU109A, LEU109B, LEU123A, LEU123B, LEU124A, LEU124B, LEU127A, LEU127B, LEU131A, LEU131B, LEU138A, LEU138B, LEU141A, LEU141B, LEU183A, LEU183B, LEU68A, LEU68B, LEU69A, LEU69B, LEU81A, LEU81B, LYS152B, MET72A, MET72B, MET77A, MET77B, PHE143A, PHE143B, PHE84A, PHE84B, PRO117A, PRO117B, PRO43A, PRO62A, PRO86A, PRO86B, PRO88A, PRO88B, SER120A, SER120B, SER82A, SER82B, SER91A, SER91B, THR134A, THR134B, THR144B, THR70B, THR90A, THR90B, VAL126A, VAL126B, VAL184A, VAL184B
• A-C: ALA101C, ALA108C, ALA168A, ALA21C, ALA39C, ALA61C, ARG100A, ARG100C, ARG106C, ARG110C, ARG170A, ARG205A, ARG33A, ARG46C, ARG59C, ARG60C, ARG65C, ARG89C, ASP105C, ASP107C, ASP174A, ASP30A, ASP30C, ASP45C, ASP63C, ASP85C, GLN-2A, GLN164A, GLN25C, GLN27C, GLU165A, GLU207A, GLU3A, GLU40C, GLU42C, GLU98A, GLY166A, GLY167A, GLY208A, GLY41C, GLY44C, GLY53A, GLY58C, GLY64C, GLY87C, HIS0A, HIS173A, HIS35C, ILE4A, ILE51A, ILE83C, ILE96A, LEU-5A, LEU175A, LEU206A, LEU212A, LEU22C, LEU26C, LYS209A, LYS24C, MET104C, MET1A, PHE-3A, PHE31C, PRO28C, PRO32A, PRO32C, PRO43C, PRO62C, PRO74A, PRO86C, PRO88C, SER-1A, SER103C, SER111C, SER210A, SER52A, SER82C, SER91C, SER92C, THR163A, THR172A, THR176A, THR23C, THR90C, THR97A, TYR-4A, TYR48C, VAL102C, VAL171A, VAL211A, VAL29C, VAL99A
• A-D: ARG125D, GLN12D, GLU121D, GLU98A, PRO32A
• C-D: ALA114C, ALA114D, ALA128C, ALA128D, ALA139C, ALA139D, ALA61C, ALA61D, ARG106C, ARG106D, ARG110C, ARG110D, ARG116C, ARG116D, ARG125C, ARG125D, ARG129C, ARG129D, ARG130C, ARG130D, ARG132C, ARG132D, ARG133C, ARG133D, ARG149C, ARG149D, ARG59C, ARG59D, ARG60C, ARG60D, ARG65C, ARG65D, ARG89C, ARG89D, ASN135C, ASN135D, ASN136C, ASN136D, ASN137C, ASN137D, ASN67C, ASN67D, ASP115C, ASP115D, ASP140C, ASP140D, ASP63C, ASP63D, ASP85C, ASP85D, GLN122C, GLN122D, GLN12D, GLN182C, GLU118C, GLU118D, GLU121C, GLU121D, GLU40C, GLU42C, GLU66C, GLU66D, GLU80C, GLU80D, GLY13D, GLY185C, GLY185D, GLY41C, GLY44C, GLY44D, GLY64C, GLY64D, GLY87C, GLY87D, ILE113C, ILE113D, ILE119C, ILE119D, ILE142C, ILE142D, ILE57C, ILE57D, ILE83C, ILE83D, LEU109C, LEU109D, LEU123C, LEU123D, LEU124C, LEU124D, LEU127C, LEU127D, LEU131C, LEU131D, LEU138C, LEU138D, LEU141C, LEU141D, LEU68C, LEU69C, LEU69D, LEU81C, LEU81D, LYS152C, LYS152D, MET72C, MET72D, MET77C, MET77D, PHE143C, PHE143D, PHE84C, PHE84D, PRO117C, PRO117D, PRO43C, PRO62C, PRO62D, PRO86C, PRO86D, PRO88C, PRO88D, SER120C, SER120D, SER82C, SER82D, SER91C, SER91D, THR134C, THR134D, THR144C, THR144D, THR70C, THR70D, THR90C, THR90D, VAL126C, VAL126D