2QZ8

crystal structure of mycobacterium tuberculosis leucine response regulatory protein (lrpa)

• Total interactions analyzed: 6
• Total true interactions: 5
• Strongest Interaction:
  • Chains: A-D
  • Int. Res.: 187
  • Norm. En. per Res.: -7.2425
• 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	0.0	0.0	-0.0768	-0.0768	4	0	1	30	0	0	3
A-C	-19.6417	-25.155	-105.799	-150.5956	49	6	1	4154	0	12	15
A-D	-352.4804	-52.7321	-949.139	-1354.3515	187	52	42	32516	3	54	52
B-D	-8.7641	-17.0835	-101.203	-127.0506	51	2	2	4056	0	12	14
C-D	0.0	0.0	-0.0435	-0.0435	4	0	1	16	0	0	3

Interface residues

• A-B: ALA101A, ALA101B, GLY102A, GLY102B
• A-C: ALA101C, ALA115A, ALA129A, ALA69A, ARG116A, ARG124A, ARG126A, ARG132A, ARG132C, ARG134A, ASN130A, ASP77C, ASP82C, ASP83C, GLN123A, GLN80C, GLU103A, GLU103C, GLU104A, GLU104C, GLU119A, GLY102C, ILE125A, ILE137A, LEU118A, LEU122A, LEU67A, LEU76A, LEU76C, PHE70A, PRO75C, PRO78C, PRO81C, PRO85C, SER105C, SER135A, SER79C, SER99C, THR127A, THR128A, THR133A, THR136A, THR74A, THR74C, TYR106C, TYR98C, VAL100C, VAL131A, VAL71A
• A-D: ALA101A, ALA101D, ALA113A, ALA113D, ALA17A, ALA17D, ALA18A, ALA18D, ALA56A, ALA56D, ALA62A, ALA62D, ALA69A, ALA69D, ALA72A, ALA72D, ALA84A, ALA84D, ALA86A, ALA86D, ARG10A, ARG10D, ARG111A, ARG111D, ARG134A, ARG134D, ARG146A, ARG146D, ARG14A, ARG14D, ARG21A, ARG21D, ARG43A, ARG43D, ARG44A, ARG44D, ARG48A, ARG48D, ARG57A, ARG57D, ARG87A, ARG87D, ASN140A, ASN140D, ASN59A, ASN59D, ASP145A, ASP145D, ASP19A, ASP19D, ASP82A, ASP82D, ASP83A, ASP83D, ASP9A, ASP9D, CYS97A, CYS97D, GLN147A, GLN147D, GLN39A, GLN39D, GLN52A, GLN52D, GLU103A, GLU103D, GLU104A, GLU104D, GLU15A, GLU15D, GLU46A, GLU46D, GLU61A, GLU61D, GLU89A, GLU89D, GLU92A, GLU92D, GLU93A, GLU93D, GLU95A, GLU95D, GLY102A, GLY102D, GLY20A, GLY20D, GLY49A, GLY49D, GLY53A, GLY53D, GLY64A, GLY64D, HIS148A, HIS148D, HIS65A, HIS65D, HIS90A, HIS90D, ILE137A, ILE137D, ILE138A, ILE138D, ILE149A, ILE149D, ILE58A, ILE58D, ILE73A, ILE91A, ILE91D, LEU109A, LEU109D, LEU12A, LEU12D, LEU139A, LEU139D, LEU16A, LEU16D, LEU24A, LEU24D, LEU27D, LEU45A, LEU45D, LEU5A, LEU5D, LEU88A, LEU88D, MET108A, MET108D, PHE142A, PHE142D, PHE70A, PHE70D, PRO150A, PRO150D, PRO60A, PRO60D, PRO85A, PRO85D, SER105A, SER105D, SER135A, SER135D, SER144A, SER144D, SER55A, SER55D, SER68A, SER68D, SER96A, SER96D, SER99A, SER99D, THR136A, THR136D, THR141A, THR141D, THR23A, THR23D, TYR106A, TYR106D, TYR143A, TYR143D, TYR54A, TYR54D, TYR98A, TYR98D, VAL100A, VAL100D, VAL107A, VAL107D, VAL110A, VAL112A, VAL112D, VAL13A, VAL13D, VAL22A, VAL22D, VAL42A, VAL42D, VAL50A, VAL50D, VAL51A, VAL51D, VAL63A, VAL63D, VAL94A, VAL94D
• B-D: ALA101B, ALA115D, ALA129D, ALA69D, ALA72D, ARG116D, ARG124D, ARG126D, ARG132B, ARG132D, ARG134D, ARG87D, ASN130D, ASP77B, ASP82B, ASP83B, GLN123D, GLN80B, GLU103B, GLU103D, GLU104B, GLU104D, GLU119D, GLY102B, ILE125D, ILE137D, LEU118D, LEU122D, LEU67D, LEU76B, LEU76D, PHE70D, PRO75B, PRO78B, PRO81B, PRO85B, SER105B, SER135D, SER79B, SER99B, THR127D, THR128D, THR133D, THR136D, THR74B, THR74D, TYR106B, TYR98B, VAL100B, VAL131D, VAL71D
• C-D: ALA101C, ALA101D, GLY102C, GLY102D