3JUP

crystal structure of phza/b from burkholderia cepacia r18194 in complex with (s)-5-bromo-2-(piperidin-3-ylamino)benzoic acid

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 167
  • Norm. En. per Res.: -4.3579
• 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	-89.064	-69.7609	-568.939	-727.764	167	19	8	22073	8	37	33

Interface residues

• A-B: ALA63A, ALA63B, ALA74A, ALA74B, ARG105A, ARG105B, ARG121A, ARG129A, ARG129B, ARG139A, ARG139B, ARG149A, ARG149B, ARG159A, ARG159B, ARG160A, ARG160B, ARG20A, ARG20B, ARG24A, ARG24B, ARG65A, ARG65B, ASN122A, ASN122B, ASN143A, ASN143B, ASN9A, ASN9B, ASP161A, ASP161B, ASP57A, ASP57B, ASP96A, ASP96B, CYS104A, CYS104B, CYS145A, CYS145B, CYS80A, CYS80B, GLN147A, GLN147B, GLN60A, GLN60B, GLN79A, GLN79B, GLN90A, GLN90B, GLN95A, GLN95B, GLU103A, GLU103B, GLU137A, GLU137B, GLU140A, GLU140B, GLU146A, GLU146B, GLU154A, GLU154B, GLU157A, GLU157B, GLU72A, GLU72B, GLU93A, GLU93B, GLY114A, GLY114B, GLY162A, GLY162B, GLY52A, GLY52B, GLY59A, GLY59B, GLY71A, GLY71B, HIS123A, HIS123B, HIS126A, HIS126B, HIS73A, HIS73B, ILE110A, ILE110B, ILE153A, ILE153B, ILE62A, ILE62B, ILE64A, ILE64B, ILE91A, ILE91B, LEU125A, LEU125B, LEU151A, LEU151B, LEU163A, LEU163B, LEU53A, LEU53B, LEU70A, LEU70B, LYS69A, LYS69B, MET142A, MET142B, PHE100A, PHE100B, PHE112A, PHE112B, PHE124A, PHE124B, PHE141A, PHE141B, PHE148A, PHE148B, PHE81A, PHE81B, PHE92A, PHE92B, PRO113A, PRO113B, PRO116B, PRO144A, PRO144B, PRO156A, PRO156B, PRO164A, PRO164B, PRO61A, PRO61B, SER127A, SER127B, SER165A, SER165B, SER58A, SER58B, SER77A, SER77B, THR55A, THR55B, THR56A, THR56B, THR94A, THR94B, TRP101A, TRP101B, TRP54A, TRP54B, TRP76A, TRP76B, TRP99A, TRP99B, TYR115A, TYR115B, TYR120A, TYR120B, VAL102A, VAL102B, VAL111B, VAL155A, VAL155B, VAL158A, VAL158B, VAL75A, VAL75B