2BGR

crystal structure of hiv-1 tat derived nonapeptides tat(1-9) bound to the active site of dipeptidyl peptidase iv (cd26)

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-B
  • Int. Res.: 197
  • Norm. En. per Res.: -4.4794
• 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	-74.2293	-140.9314	-667.273	-882.4337	197	20	9	23785	12	52	39
A-Y	-10.6668	-20.5996	-74.963	-106.2295	42	5	0	2610	2	7	8
B-Z	-12.5979	-22.4565	-82.0112	-117.0657	40	6	0	2697	2	7	9

Interface residues

• A-B: ALA259A, ALA259B, ALA261A, ALA261B, ALA652A, ALA652B, ALA654A, ALA654B, ALA717A, ALA717B, ALA722A, ALA722B, ALA732A, ALA732B, ALA747A, ALA747B, ARG253A, ARG253B, ARG318A, ARG658A, ARG658B, ARG684A, ARG684B, ASN263B, ASP243A, ASP243B, ASP663A, ASP663B, ASP725A, ASP725B, ASP729A, ASP729B, ASP737A, ASP737B, GLN247A, GLN247B, GLN714A, GLN714B, GLN715A, GLN715B, GLN718A, GLN718B, GLN731A, GLN731B, GLN749A, GLN749B, GLN761A, GLN761B, GLU232B, GLU237A, GLU237B, GLU244A, GLU244B, GLU660A, GLU660B, GLU738A, GLU738B, GLY260A, GLY260B, GLY727A, GLY727B, HIS704A, HIS704B, HIS712A, HIS712B, HIS748A, HIS748B, HIS750A, HIS750B, HIS754A, HIS754B, HIS757A, HIS757B, ILE236A, ILE236B, ILE703A, ILE703B, ILE719A, ILE719B, ILE742A, ILE742B, ILE751A, ILE751B, LEU235A, LEU235B, LEU246A, LEU246B, LEU701A, LEU701B, LEU702A, LEU702B, LEU723A, LEU723B, LYS250A, LYS250B, LYS258A, LYS258B, LYS50A, LYS50B, LYS721A, LYS721B, MET689A, MET689B, MET733A, MET733B, MET755A, MET755B, PHE240A, PHE240B, PHE713A, PHE713B, PHE730A, PHE730B, PHE758A, PHE758B, PRO234A, PRO234B, PRO249A, PRO249B, PRO255A, PRO255B, PRO257A, PRO257B, PRO655A, PRO655B, PRO674A, PRO674B, SER239A, SER239B, SER242A, SER242B, SER245A, SER245B, SER657A, SER657B, SER664A, SER664B, SER690A, SER690B, SER716A, SER716B, SER720A, SER720B, SER744A, SER744B, SER745A, SER745B, THR251A, THR251B, THR687A, THR687B, THR706A, THR706B, THR736A, THR736B, THR746A, THR746B, THR753A, THR753B, TRP659A, TRP659B, TRP734A, TRP734B, TYR238A, TYR238B, TYR241A, TYR241B, TYR248A, TYR248B, TYR256A, TYR256B, TYR661A, TYR661B, TYR662A, TYR662B, TYR683A, TYR683B, TYR700A, TYR700B, TYR735A, TYR735B, VAL233A, VAL233B, VAL252A, VAL252B, VAL254A, VAL254B, VAL262A, VAL262B, VAL688A, VAL688B, VAL724A, VAL724B, VAL726A, VAL726B, VAL728A, VAL728B
• A-Y: ALA654A, ARG125A, ARG669A, ASN710A, ASP2Y, ASP663A, CYS551A, GLN553A, GLN715A, GLU205A, GLU206A, GLY549A, GLY632A, GLY633A, GLY741A, HIS126A, HIS740A, LEU598A, MET1Y, PHE357A, PRO3Y, PRO550A, PRO655A, SER209A, SER552A, SER630A, THR667A, TRP201A, TRP629A, TRP659A, TYR547A, TYR585A, TYR631A, TYR634A, TYR662A, TYR666A, TYR670A, VAL202A, VAL635A, VAL656A, VAL665A, VAL711A
• B-Z: ALA654B, ARG125B, ARG358B, ARG669B, ASN710B, ASP2Z, ASP663B, GLN715B, GLU205B, GLU206B, GLY549B, GLY632B, GLY633B, GLY741B, HIS126B, HIS740B, LEU598B, MET1Z, PHE357B, PRO3Z, PRO550B, PRO655B, SER209B, SER630B, THR667B, TRP201B, TRP629B, TRP659B, TYR256B, TYR547B, TYR585B, TYR631B, TYR634B, TYR662B, TYR666B, TYR670B, VAL202B, VAL656B, VAL665B, VAL711B