2AJL

x-ray structure of novel biaryl-based dipeptidyl peptidase iv inhibitor

• Total interactions analyzed: 1
• Total true interactions: 1
• Strongest Interaction:
  • Chains: I-J
  • Int. Res.: 200
  • Norm. En. per Res.: -4.3876
• Hub Node: I(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
I-J	-67.1619	-141.9674	-668.389	-877.5182	200	32	8	24513	9	52	39

Interface residues

• I-J: ALA259I, ALA259J, ALA261I, ALA261J, ALA652I, ALA652J, ALA654I, ALA654J, ALA717I, ALA717J, ALA722I, ALA722J, ALA732I, ALA732J, ALA747I, ALA747J, ARG253I, ARG253J, ARG318I, ARG658I, ARG658J, ARG684I, ARG684J, ASN263I, ASP243I, ASP243J, ASP663I, ASP663J, ASP725I, ASP725J, ASP729I, ASP729J, ASP737I, ASP737J, GLN247I, GLN247J, GLN714I, GLN714J, GLN715I, GLN715J, GLN718I, GLN718J, GLN731I, GLN731J, GLN749I, GLN749J, GLN761I, GLN761J, GLU232J, GLU237I, GLU237J, GLU244I, GLU244J, GLU660I, GLU660J, GLU699J, GLU738I, GLU738J, GLY260I, GLY260J, GLY705J, GLY727I, GLY727J, HIS704I, HIS704J, HIS712I, HIS712J, HIS748I, HIS748J, HIS750I, HIS750J, HIS754I, HIS754J, HIS757I, HIS757J, ILE236I, ILE236J, ILE703I, ILE703J, ILE719I, ILE719J, ILE742I, ILE742J, ILE751I, ILE751J, LEU235I, LEU235J, LEU246I, LEU246J, LEU701I, LEU701J, LEU702I, LEU702J, LEU723I, LEU723J, LYS250I, LYS250J, LYS258I, LYS258J, LYS50I, LYS50J, LYS696I, LYS721I, LYS721J, MET689I, MET689J, MET733I, MET733J, MET755I, MET755J, PHE240I, PHE240J, PHE713I, PHE713J, PHE730I, PHE730J, PHE758I, PHE758J, PRO234I, PRO234J, PRO249I, PRO249J, PRO255I, PRO255J, PRO257I, PRO257J, PRO655I, PRO655J, PRO674I, PRO674J, SER239I, SER239J, SER242I, SER242J, SER245I, SER245J, SER657I, SER657J, SER664I, SER664J, SER690I, SER690J, SER716I, SER716J, SER720I, SER720J, SER744I, SER744J, SER745I, SER745J, THR251I, THR251J, THR687I, THR687J, THR706I, THR706J, THR736I, THR736J, THR746I, THR746J, THR753I, THR753J, TRP659I, TRP659J, TRP734I, TRP734J, TYR238I, TYR238J, TYR241I, TYR241J, TYR248I, TYR248J, TYR256I, TYR256J, TYR661I, TYR661J, TYR662I, TYR662J, TYR683I, TYR683J, TYR700I, TYR700J, TYR735I, TYR735J, VAL233I, VAL233J, VAL252I, VAL252J, VAL254I, VAL254J, VAL262I, VAL262J, VAL688I, VAL688J, VAL724I, VAL724J, VAL726I, VAL726J, VAL728I, VAL728J