2I4T

crystal stucture of purine nucleoside phosphorylase from trichomonas vaginalis with imm-a

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 143
  • Norm. En. per Res.: -4.5659
• 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	-12.13	46.205	-377.88	-343.8051	148	6	7	17088	0	36	27
A-C	-104.2685	-72.2145	-476.444	-652.9269	143	22	7	17428	7	41	48
B-C	-3.361	5.7156	-9.3247	-6.9701	15	1	0	550	0	10	8

Interface residues

• A-B: ALA1A, ALA1B, ALA214B, ALA25A, ALA25B, ALA73A, ALA73B, ARG117A, ARG117B, ARG119A, ARG119B, ARG217B, ARG24A, ARG24B, ARG43A, ARG43B, ARG87A, ARG87B, ASN112A, ASN112B, ASN116A, ASN116B, ASN161A, ASN161B, ASN40A, ASN41A, ASN41B, ASN5A, ASN5B, ASP122A, ASP122B, ASP157A, ASP157B, ASP204A, ASP204B, ASP21A, ASP21B, CYS19A, CYS19B, CYS70A, CYS70B, GLN163A, GLN163B, GLN218B, GLN46A, GLN46B, GLU181A, GLU181B, GLU211B, GLU215B, GLU74A, GLU74B, GLU75A, GLU75B, GLY184A, GLY184B, GLY20A, GLY20B, GLY44A, GLY44B, GLY63A, GLY63B, GLY65A, GLY65B, GLY89A, GLY89B, HIS4A, HIS4B, HIS62A, HIS62B, ILE115A, ILE115B, ILE118A, ILE118B, ILE188A, ILE188B, ILE45A, ILE45B, ILE69A, ILE69B, ILE71A, ILE71B, LEU158A, LEU158B, LEU166A, LEU166B, LEU191A, LEU191B, LEU23A, LEU23B, LEU38B, LEU66A, LEU66B, LEU76A, LEU76B, LYS114A, LYS114B, MET121A, MET121B, MET180A, MET180B, MET64A, MET64B, PHE120A, PHE120B, PHE154A, PHE154B, PHE159A, PHE159B, PHE221B, PRO162A, PRO162B, PRO22A, PRO22B, PRO3A, PRO3B, PRO67A, PRO67B, SER113A, SER113B, SER203A, SER203B, SER68A, SER68B, SER6A, SER78A, SER78B, THR111A, THR111B, THR156A, THR156B, THR212B, THR213B, THR2A, THR2B, THR79A, THR79B, THR90A, THR90B, TYR160A, TYR160B, TYR192A, TYR192B, TYR72A, TYR72B, TYR80B, VAL42A, VAL42B
• A-C: ALA109A, ALA109C, ALA127A, ALA127C, ALA129A, ALA129C, ALA136A, ALA136C, ALA167A, ALA167C, ALA183A, ALA183C, ALA189A, ALA189C, ALA194A, ALA194C, ARG117A, ARG117C, ARG119A, ARG119C, ASN112A, ASN112C, ASN116A, ASN116C, ASN161A, ASN161C, ASN171A, ASN171C, ASP122A, ASP122C, ASP124A, ASP124C, ASP132A, ASP132C, ASP139A, ASP139C, ASP157A, ASP157C, ASP190A, ASP190C, CYS135A, CYS135C, GLN163A, GLN163C, GLN168A, GLN168C, GLU165A, GLU165C, GLY110A, GLY110C, GLY151A, GLY151C, GLY153A, GLY153C, GLY193A, GLY193C, HIS123A, HIS123C, HIS174A, HIS174C, ILE105A, ILE105C, ILE115A, ILE115C, ILE118A, ILE118C, ILE188A, ILE188C, ILE94A, ILE94C, LEU137A, LEU137C, LEU158A, LEU158C, LEU166A, LEU166C, LEU169A, LEU169C, LEU191A, LEU191C, LYS114A, LYS114C, LYS142C, LYS152A, LYS152C, LYS172A, LYS172C, MET121A, MET121C, MET170A, MET170C, PHE106A, PHE106C, PHE120A, PHE120C, PHE131A, PHE131C, PHE154A, PHE154C, PHE173A, PHE173C, PHE175A, PHE175C, PHE186A, PHE186C, PRO126A, PRO126C, PRO162A, PRO162C, PRO187A, PRO187C, SER108A, SER108C, SER113A, SER113C, SER130A, SER130C, SER155A, SER155C, THR107A, THR107C, THR111A, THR111C, THR128A, THR128C, THR156A, THR156C, THR164A, THR164C, TYR125A, TYR125C, TYR192A, TYR192C, VAL133A, VAL133C, VAL134A, VAL134C, VAL138A, VAL138C, VAL150A, VAL150C, VAL178A, VAL178C
• B-C: ARG117B, ARG117C, ASP122B, ASP122C, ASP124C, HIS123C, ILE115B, ILE118B, LEU169C, LYS114B, LYS172C, MET121C, PHE120C, PHE173C, PRO162B