2G5F

the structure of mbti from mycobacterium tuberculosis, the first enzyme in the synthesis of mycobactin, reveals it to be a salicylate synthase

• Total interactions analyzed: 6
• Total true interactions: 4
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 85
  • Norm. En. per Res.: -1.8426
• 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	-13.886	-19.8492	-122.882	-156.6173	85	4	1	5033	6	50	47
A-D	-29.4357	-11.9776	-97.3439	-138.7572	96	7	5	4602	0	45	39
B-C	-27.3355	-10.4404	-94.206	-131.9819	91	4	5	4271	0	42	39
B-D	0.0	0.0	-25.0457	-25.0457	19	1	0	962	0	11	13

Interface residues

• A-B: ALA153A, ALA153B, ALA259A, ALA259B, ALA394A, ALA394B, ALA62A, ALA90A, ALA95A, ARG138A, ARG140B, ARG149B, ARG156A, ARG158A, ARG158B, ARG258B, ARG340B, ARG342B, ARG349A, ARG75A, ARG80A, ARG98A, ASP104A, ASP104B, ASP152A, ASP152B, ASP260B, ASP344A, ASP348A, ASP395A, ASP395B, ASP76A, ASP97A, GLN105B, GLN53B, GLN61A, GLN82A, GLU102A, GLU102B, GLU147B, GLU314B, GLU39A, GLU94A, GLY154A, GLY261B, GLY396A, GLY396B, GLY397B, GLY93A, HIS157A, ILE155A, ILE18B, LEU100A, LEU100B, LEU101A, LEU101B, LEU150B, LEU343B, LEU99A, LYS146B, MET142B, MET391B, PHE107B, PHE151A, PHE151B, PRO137A, PRO19B, PRO345A, PRO345B, SER136A, SER17B, SER317B, SER346A, SER347A, SER393B, THR103A, THR103B, THR139A, THR139B, THR79A, VAL262B, VAL55B, VAL73A, VAL78A, VAL96A
• A-D: ALA200A, ALA200D, ALA313A, ALA313D, ALA351A, ALA351D, ALA355A, ALA355D, ALA368A, ALA368D, ALA369A, ALA369D, ALA90A, ALA90D, ARG118A, ARG118D, ARG124A, ARG124D, ARG202A, ARG202D, ARG303A, ARG303D, ARG376A, ARG376D, ARG87A, ARG87D, ASP311A, ASP311D, ASP344A, ASP344D, GLN122A, GLN122D, GLN123A, GLN123D, GLN82A, GLN82D, GLN83A, GLN83D, GLU197A, GLU197D, GLU307A, GLU307D, GLU308A, GLU308D, GLU314A, GLU314D, GLU354A, GLU354D, GLU372A, GLU372D, GLU94A, GLU94D, GLY120A, GLY120D, GLY201A, GLY201D, GLY316A, GLY316D, GLY86A, GLY86D, GLY89A, GLY89D, HIS117A, HIS117D, ILE309A, ILE309D, ILE312A, ILE312D, ILE365A, ILE365D, LEU121A, LEU121D, LEU306D, LYS367A, LYS367D, PRO315A, PRO315D, PRO366A, PRO366D, PRO88A, PRO88D, SER346A, SER346D, SER347A, SER85A, SER85D, THR310A, THR310D, TRP84A, TRP84D, TYR119A, TYR119D, TYR203A, TYR203D, VAL116A, VAL116D
• B-C: ALA200B, ALA200C, ALA313B, ALA313C, ALA351B, ALA351C, ALA355B, ALA355C, ALA368B, ALA368C, ALA369B, ALA369C, ALA90B, ALA90C, ARG118B, ARG118C, ARG124B, ARG124C, ARG202B, ARG202C, ARG303B, ARG303C, ARG376B, ARG376C, ARG87B, ARG87C, ASP311B, ASP311C, ASP344B, ASP344C, GLN122B, GLN122C, GLN123B, GLN123C, GLN82B, GLN82C, GLN83B, GLN83C, GLU197B, GLU197C, GLU307B, GLU307C, GLU308B, GLU308C, GLU314B, GLU314C, GLU354B, GLU354C, GLU372B, GLU372C, GLY120B, GLY120C, GLY201B, GLY201C, GLY316B, GLY316C, GLY86B, GLY86C, HIS117B, HIS117C, ILE309B, ILE309C, ILE312B, ILE312C, ILE365B, LEU121B, LEU121C, LYS367B, LYS367C, PRO315B, PRO315C, PRO366B, PRO366C, PRO88B, PRO88C, SER304B, SER346C, SER347B, SER347C, SER85B, SER85C, THR310B, THR310C, TRP84B, TRP84C, TYR119B, TYR119C, TYR203B, TYR203C, VAL116B, VAL116C
• B-D: ALA153B, ALA259D, ARG156B, ARG158B, ASP152B, ASP260D, ASP344D, ASP348D, GLU159B, GLU314D, GLY154B, GLY261D, HIS157B, ILE155B, LEU150B, LEU343D, PRO345D, SER346D, SER347D