3H76

crystal structure of pqsd, a key enzyme in pseudomonas aeruginosa quinolone signal biosynthesis pathway

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 252
  • Norm. En. per Res.: -5.2178
• 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	-216.8186	-88.9991	-1009.06	-1314.8777	252	40	20	35643	9	60	58

Interface residues

• A-B: ALA110A, ALA110B, ALA122A, ALA122B, ALA128A, ALA128B, ALA131A, ALA131B, ALA185A, ALA185B, ALA196A, ALA196B, ALA197A, ALA197B, ALA201A, ALA201B, ALA319A, ALA319B, ALA50A, ALA50B, ALA53A, ALA53B, ALA91A, ALA91B, ARG101A, ARG101B, ARG109A, ARG109B, ARG123A, ARG123B, ARG145A, ARG145B, ARG182A, ARG182B, ARG212A, ARG212B, ARG235A, ARG235B, ARG25A, ARG25B, ASN188A, ASN188B, ASN79A, ASN79B, ASP107A, ASP107B, ASP161B, ASP180A, ASP180B, ASP186A, ASP186B, ASP191A, ASP191B, ASP207A, ASP207B, ASP74A, ASP74B, ASP84A, ASP84B, ASP87A, ASP87B, CYS112A, CYS112B, CYS92A, CYS92B, GLN111A, GLN111B, GLN120A, GLN120B, GLN125A, GLN125B, GLN49A, GLN49B, GLN90A, GLN90B, GLN95A, GLN95B, GLU140A, GLU140B, GLU208A, GLU208B, GLU217A, GLU217B, GLU46A, GLU46B, GLU48A, GLU48B, GLY114A, GLY114B, GLY118A, GLY118B, GLY124A, GLY124B, GLY129A, GLY129B, GLY139A, GLY184A, GLY184B, GLY187A, GLY187B, GLY199A, GLY199B, GLY214A, GLY214B, GLY215A, GLY215B, GLY216A, GLY216B, GLY316A, GLY316B, GLY318A, GLY318B, GLY322A, GLY322B, GLY99A, GLY99B, HIS102A, HIS102B, HIS228A, HIS228B, HIS85A, HIS85B, HIS86A, HIS86B, ILE103A, ILE103B, ILE108A, ILE108B, ILE126A, ILE126B, ILE94A, ILE94B, LEU100A, LEU100B, LEU106A, LEU106B, LEU119A, LEU119B, LEU127A, LEU127B, LEU130A, LEU130B, LEU142A, LEU142B, LEU178A, LEU178B, LEU181A, LEU181B, LEU183A, LEU183B, LEU192A, LEU192B, LEU193A, LEU193B, LEU206A, LEU206B, LEU211A, LEU211B, LEU219A, LEU219B, LEU54A, LEU54B, LEU75A, LEU75B, LEU76A, LEU76B, LEU77A, LEU77B, LEU81A, LEU81B, LEU93A, LEU93B, LEU97A, LEU97B, LYS144A, LYS144B, MET121A, MET121B, MET146A, MET146B, MET194A, MET194B, MET225A, MET225B, MET55A, MET55B, PHE190A, PHE190B, PHE205A, PHE205B, PHE218A, PHE218B, PRO104A, PRO104B, PRO198A, PRO198B, PRO203A, PRO203B, PRO3A, PRO3B, PRO47A, PRO47B, PRO83A, PRO83B, PRO88A, PRO88B, PRO96A, PRO96B, SER113A, SER113B, SER143A, SER143B, SER200A, SER200B, SER202A, SER202B, SER317A, SER317B, SER52A, SER52B, SER82A, SER82B, SER89A, SER89B, THR195A, THR195B, THR204A, THR204B, THR320A, THR320B, THR80A, THR80B, TRP321A, TRP321B, TYR117A, TYR117B, TYR189A, TYR189B, VAL105A, VAL105B, VAL134A, VAL134B, VAL141A, VAL141B, VAL210A, VAL210B, VAL45A, VAL45B, VAL51A, VAL51B, VAL78A, VAL78B