3FOB

crystal structure of bromoperoxidase from bacillus anthracis

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 87
  • Norm. En. per Res.: -2.9042
• 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	-54.0933	-9.9724	-180.785	-244.8507	89	6	5	7039	2	25	27
A-C	-44.0423	-3.9874	-198.157	-246.1867	92	5	5	7488	2	29	30
B-C	-37.3893	-5.4838	-209.796	-252.6691	87	5	5	7888	2	26	28

Interface residues

• A-B: ALA12B, ALA159B, ALA190B, ALA191B, ALA193B, ALA262A, ALA265A, ALA2A, ALA46A, ARG157B, ARG183A, ARG183B, ARG38A, ARG53A, ASN10B, ASN155B, ASN186A, ASP156B, ASP162B, ASP188A, ASP188B, ASP20A, GLN11B, GLN43A, GLN67B, GLN87A, GLU15B, GLU163B, GLU180A, GLU19A, GLU41A, GLU49A, GLU70B, GLU89A, GLY152B, GLY192B, GLY22A, GLY61B, GLY63B, HIS21A, ILE14B, ILE154B, ILE189A, ILE189B, ILE4A, ILE55A, LEU158B, LEU161B, LEU177A, LEU184A, LEU184B, LEU199B, LEU47A, LEU88A, LEU90A, LYS166B, LYS196B, LYS266A, LYS3A, LYS64A, LYS64B, PHE160B, PHE182A, PHE62B, PRO13B, PRO195B, PRO45A, PRO68B, SER179A, SER181A, SER194B, SER65B, SER66B, THR198B, THR23A, TRP187A, TRP187B, TRP40A, TRP69B, TYR17A, TYR185A, TYR18A, TYR42A, TYR72B, VAL153B, VAL178A, VAL44A, VAL48A, VAL54A
• A-C: ALA12A, ALA159A, ALA190A, ALA191A, ALA193A, ALA262C, ALA265C, ALA2C, ALA46C, ARG157A, ARG183A, ARG183C, ARG38C, ARG53C, ASN10A, ASN155A, ASN186C, ASP156A, ASP162A, ASP188A, ASP188C, ASP20C, GLN11A, GLN43C, GLN67A, GLN87C, GLU15A, GLU163A, GLU180C, GLU19C, GLU41C, GLU49C, GLU70A, GLU89C, GLU9A, GLY152A, GLY192A, GLY197A, GLY22C, GLY24C, GLY61A, GLY63A, HIS21C, ILE14A, ILE154A, ILE189A, ILE189C, ILE4C, ILE55C, LEU158A, LEU161A, LEU177C, LEU184A, LEU184C, LEU199A, LEU47C, LEU88C, LEU90C, LYS166A, LYS196A, LYS3A, LYS3C, LYS64A, LYS64C, PHE160A, PHE182C, PHE62A, PRO13A, PRO195A, PRO45C, PRO68A, SER179C, SER181C, SER194A, SER65A, SER66A, THR198A, THR23C, TRP187A, TRP187C, TRP40C, TRP69A, TYR17C, TYR185C, TYR18C, TYR42C, TYR72A, VAL153A, VAL178C, VAL44C, VAL48C, VAL54C
• B-C: ALA0B, ALA12C, ALA159C, ALA190C, ALA191C, ALA193C, ALA262B, ALA265B, ALA46B, ARG157C, ARG183B, ARG38B, ARG53B, ARG60C, ASN-1B, ASN10C, ASN155C, ASN186B, ASP156C, ASP162C, ASP188B, ASP188C, ASP20B, GLN11C, GLN43B, GLN67C, GLU15C, GLU163C, GLU180B, GLU19B, GLU41B, GLU49B, GLU70C, GLU9C, GLY152C, GLY192C, GLY22B, GLY61C, GLY63C, HIS21B, ILE14C, ILE154C, ILE189B, ILE189C, LEU158C, LEU161C, LEU177B, LEU184B, LEU184C, LEU199C, LEU47B, LEU88B, LYS166C, LYS196C, LYS3C, LYS64B, LYS64C, PHE160C, PHE182B, PHE62C, PRO13C, PRO195C, PRO45B, PRO68C, SER-2B, SER179B, SER181B, SER194C, SER65C, SER66C, THR198C, THR23B, THR8C, TRP187B, TRP187C, TRP40B, TRP69C, TYR17B, TYR185B, TYR18B, TYR42B, TYR72C, VAL153C, VAL178B, VAL44B, VAL48B, VAL54B