3NJ0

x-ray crystal structure of the pyl2-pyrabactin a complex

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 78
  • Norm. En. per Res.: -4.0689
• 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	-40.3148	-37.2562	-239.802	-317.373	78	11	4	9038	4	19	21
A-C	0.0	5.8485	-0.003	5.8454	3	0	0	2	0	5	9
B-C	-40.2628	-11.0279	-134.211	-185.5017	61	7	2	5583	1	12	9

Interface residues

• A-B: ALA93A, ALA93B, ARG120A, ARG120B, ARG69A, ARG69B, ASN157A, ASN157B, ASN173A, ASN173B, ASP161A, ASP161B, ASP167A, ASP167B, GLN175A, GLN175B, GLU155A, GLU155B, GLU160A, GLU160B, GLY156A, GLY156B, GLY90A, GLY90B, HIS65A, HIS65B, ILE88A, ILE88B, LEU121A, LEU121B, LEU172A, LEU172B, LEU91A, LEU91B, LYS163A, LYS163B, LYS171A, LYS171B, LYS176A, LYS176B, LYS64A, LYS64B, LYS68A, LYS68B, MET164A, MET164B, PHE165A, PHE165B, PHE66A, PHE66B, PRO154A, PRO154B, PRO92A, PRO92B, SER89A, SER89B, SER94A, SER94B, THR158A, THR158B, THR162A, THR162B, THR168A, THR168B, THR86A, THR86B, VAL166A, VAL166B, VAL169A, VAL169B, VAL170A, VAL170B, VAL179A, VAL179B, VAL67A, VAL67B, VAL87A, VAL87B
• A-C: ASP106C, ASP12A, THR11A
• B-C: ALA180B, ALA181B, ALA184B, ALA45B, ALA47B, ARG113C, ARG62B, ARG69C, ARG71C, ARG83C, ARG99C, ASN135B, ASP58C, ASP76C, ASP78C, GLN136B, GLU101C, GLU132B, GLU84C, GLU98C, GLY116C, GLY139B, GLY178B, GLY75C, GLY77C, GLY80C, HIS187B, HIS44B, ILE43B, ILE73C, LEU100C, LEU134B, LEU177B, LEU53B, LEU72C, LYS125C, LYS140B, MET186B, PHE102C, PRO185B, PRO46B, PRO52B, SER111C, SER138B, SER183B, SER48B, SER74C, SER81C, THR143B, THR182B, THR97C, TYR142B, VAL103C, VAL114C, VAL115C, VAL141B, VAL179B, VAL49B, VAL50B, VAL79C, VAL82C