3MOU

characterization of the inhibitor binding site of the dehaloperoxidase-hemoglobin from amphitrite ornata using high- pressure xenon derivatization

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 75
  • Norm. En. per Res.: 0.3753
• Hub Node: A(1)

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	-11.0668	39.2158	28.149	75	21	0	3372	0	19	19

Interface residues

• A-B: ALA130A, ALA134A, ALA23A, ALA70B, ALA77A, ALA7B, ALA80A, ARG10B, ARG122B, ARG32A, ASN26A, ASN81A, ASN96A, ASP116B, ASP30A, ASP43A, ASP5B, ASP68B, ASP72B, ASP79A, CYS73B, GLN113B, GLN118B, GLN44A, GLN4B, GLN85A, GLN88A, GLU106A, GLU31A, GLU45A, GLY112B, GLY1B, GLY40A, HIS89A, ILE6B, LEU100A, LEU127A, LEU131A, LEU22A, LEU25A, LEU46A, LEU76A, LEU83A, LEU92A, LYS27A, LYS3B, LYS41A, LYS87A, MET86A, PHE115B, PHE21A, PHE24A, PHE2B, PHE35A, PHE60A, PHE97A, PRO29A, PRO75A, SER114B, SER117B, SER119B, SER42A, SER78A, SER90A, SER91A, THR71B, THR82A, THR8B, TYR28A, TYR34A, TYR38A, VAL39A, VAL59A, VAL66A, VAL84A