3LOG

crystal structure of mbti from mycobacterium tuberculosis

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 91
  • Norm. En. per Res.: -3.4562
• 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	-40.6337	-126.3534	-136.944	-303.931	94	6	0	5076	9	52	51
A-C	-20.2999	32.7209	-124.837	-112.4159	70	3	2	6067	0	26	39
B-D	0.0	0.0	-8.1744	-8.1744	17	0	2	626	0	5	5
C-D	-36.3539	-127.1985	-150.964	-314.5164	91	3	0	5741	6	54	53

Interface residues

• A-B: ALA153A, ALA160B, ALA166A, ALA166B, ALA217B, ALA35B, ARG138A, ARG138B, ARG156A, ARG156B, ARG158A, ARG163A, ARG163B, ARG170B, ARG176B, ARG245A, ARG245B, ARG449A, ARG449B, ARG72B, ARG75A, ARG75B, ARG81B, ASP152A, ASP162A, ASP219B, ASP42A, ASP42B, ASP44A, ASP44B, ASP76A, ASP76B, GLN240A, GLN240B, GLN409B, GLN61A, GLN61B, GLU159A, GLU159B, GLU32B, GLU39A, GLU39B, GLU43A, GLU43B, GLU65B, GLY154A, GLY168B, GLY242A, GLY242B, GLY243A, GLY243B, GLY411A, GLY411B, GLY412A, GLY412B, GLY59A, GLY59B, GLY77A, GLY77B, HIS157A, ILE155A, ILE218B, ILE244B, ILE74A, ILE74B, LEU164B, LEU222B, LEU241B, MET63B, PHE216B, PHE220B, PRO215B, SER40A, SER40B, THR139A, THR167A, THR167B, THR38A, THR38B, THR79A, THR79B, TYR45B, VAL169B, VAL36A, VAL36B, VAL37A, VAL37B, VAL410B, VAL41A, VAL41B, VAL60A, VAL60B, VAL78A, VAL78B
• A-C: ALA192C, ALA194C, ALA200C, ALA355A, ALA368A, ALA368C, ALA369A, ALA369C, ALA373A, ALA373C, ARG118A, ARG124A, ARG124C, ARG189C, ARG190C, ARG202A, ARG202C, ARG376A, ARG376C, ARG417C, ARG87A, ASP182C, ASP183C, ASP196C, ASP311A, ASP378C, CYS211C, CYS380C, GLN122A, GLN123A, GLN123C, GLU197A, GLU197C, GLU372A, GLU372C, GLU379C, GLY120A, GLY120C, GLY186C, GLY201A, GLY370A, GLY86A, HIS117A, HIS204A, ILE365A, ILE374C, LEU121A, LEU121C, LEU208C, LEU377A, LEU377C, LYS367A, PHE187C, PHE375A, PHE375C, PRO184C, PRO366A, PRO88A, SER185C, SER85A, TRP84A, TYR119A, TYR119C, TYR203A, TYR203C, VAL116A, VAL191C, VAL193A, VAL193C, VAL371A
• B-D: ALA279B, ALA279D, ALA284D, ARG272D, ARG276B, ARG430D, ASN291D, ASP281D, ASP286D, ASP287D, GLY277B, ILE280B, ILE280D, LEU283B, LEU283D, PRO278B, SER290D
• C-D: ALA153C, ALA160C, ALA160D, ALA166D, ALA217D, ALA35D, ARG138C, ARG138D, ARG156C, ARG156D, ARG158C, ARG163C, ARG163D, ARG170D, ARG176D, ARG245C, ARG245D, ARG449D, ARG75C, ARG75D, ARG81D, ASP152C, ASP162C, ASP219D, ASP42C, ASP42D, ASP44C, ASP44D, ASP76C, ASP76D, GLN240C, GLN240D, GLN409D, GLN61C, GLN61D, GLU159C, GLU171D, GLU32D, GLU39C, GLU39D, GLU43C, GLU43D, GLY154C, GLY168D, GLY242C, GLY242D, GLY243C, GLY243D, GLY411C, GLY411D, GLY412C, GLY412D, GLY59C, GLY59D, GLY77C, GLY77D, HIS157C, HIS157D, ILE155C, ILE218D, ILE244C, ILE244D, ILE74C, ILE74D, LEU164D, LEU222D, LEU241C, LEU241D, PHE216D, PHE220D, PRO215D, SER40C, SER40D, THR139C, THR167D, THR38C, THR38D, THR79C, THR79D, TYR45D, VAL169D, VAL36D, VAL37C, VAL37D, VAL410D, VAL41C, VAL41D, VAL60C, VAL60D, VAL78C, VAL78D