3GGS

human purine nucleoside phosphorylase double mutant e201q,n243d complexed with 2-fluoro-2'-deoxyadenosine

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: B-C
  • Int. Res.: 103
  • Norm. En. per Res.: -4.2966
• 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	-47.4476	-30.0908	-340.854	-418.3924	104	14	8	12851	1	22	29
A-C	-75.7933	-35.1265	-303.468	-414.3878	103	14	8	12199	1	18	28
B-C	-56.3335	-45.7074	-340.512	-442.5529	103	9	8	12596	2	19	27

Interface residues

• A-B: ALA161A, ALA165A, ALA196B, ALA204B, ALA214A, ALA255B, ARG133A, ARG148A, ARG158A, ARG168A, ARG171A, ARG207B, ARG229A, ASN137A, ASN137B, ASN145A, ASN151A, ASN3A, ASP134A, ASP157A, ASP164A, ASP215A, ASP248B, CYS206B, GLN144A, GLN144B, GLN172A, GLN201B, GLN210A, GLU205B, GLU250B, GLU253B, GLU259B, GLU89B, GLY140A, GLY140B, GLY143A, GLY143B, GLY149A, GLY190A, GLY197B, GLY213A, GLY90B, HIS135A, HIS230A, HIS86B, ILE136A, ILE226A, ILE246B, LEU138A, LEU138B, LEU147A, LEU209A, LEU209B, LEU212A, LEU212B, LEU252B, LEU93B, LYS211A, LYS211B, MET162A, MET194A, MET194B, MET1B, MET219B, MET87B, PHE141A, PHE141B, PHE159A, PHE200B, PRO139A, PRO139B, PRO146A, PRO150A, PRO160A, PRO198B, PRO62B, PRO92B, SER142A, SER142B, SER163A, SER199B, SER33B, THR191A, THR202B, THR60B, TYR166A, TYR192A, TYR249B, TYR88B, TYR91B, VAL193A, VAL193B, VAL195B, VAL203B, VAL208A, VAL208B, VAL217B, VAL222A, VAL225A, VAL227A, VAL245B, VAL260B, VAL96B
• A-C: ALA161C, ALA165C, ALA196A, ALA204A, ALA214C, ALA255A, ARG133C, ARG148C, ARG158C, ARG168C, ARG171C, ARG207A, ARG229C, ASN137A, ASN137C, ASN145C, ASN151C, ASN3C, ASP134C, ASP152C, ASP157C, ASP164C, ASP215C, ASP248A, CYS206A, GLN144A, GLN144C, GLN201A, GLN210C, GLU153C, GLU205A, GLU250A, GLU253A, GLU89A, GLY140A, GLY140C, GLY143A, GLY143C, GLY149C, GLY190C, GLY197A, GLY213C, GLY90A, HIS135C, HIS230C, HIS86A, ILE136C, ILE226C, ILE246A, LEU138A, LEU138C, LEU147C, LEU209A, LEU209C, LEU212A, LEU212C, LEU252A, LEU93A, LYS211A, LYS211C, MET162C, MET194A, MET194C, MET219A, MET87A, PHE141A, PHE141C, PHE159C, PHE200A, PRO139A, PRO139C, PRO146C, PRO150C, PRO160C, PRO198A, PRO62A, PRO92A, SER142A, SER142C, SER163C, SER199A, SER33A, THR191C, THR202A, THR60A, TYR166C, TYR192C, TYR249A, TYR88A, TYR91A, VAL193A, VAL193C, VAL195A, VAL203A, VAL208A, VAL208C, VAL217A, VAL222C, VAL225C, VAL227C, VAL260A, VAL61A, VAL96A
• B-C: ALA161B, ALA165B, ALA196C, ALA204C, ALA214B, ARG133B, ARG148B, ARG158B, ARG168B, ARG171B, ARG207C, ARG229B, ASN137B, ASN137C, ASN145B, ASN151B, ASN3B, ASP134B, ASP157B, ASP164B, ASP215B, ASP248C, CYS206C, GLN144B, GLN144C, GLN172B, GLN201C, GLN210B, GLU205C, GLU250C, GLU253C, GLU2B, GLU89C, GLY140B, GLY140C, GLY143B, GLY143C, GLY149B, GLY190B, GLY197C, GLY213B, GLY90C, HIS135B, HIS230B, HIS86C, ILE136B, ILE226B, ILE246C, LEU138B, LEU138C, LEU147B, LEU209B, LEU209C, LEU212B, LEU212C, LEU252C, LEU93C, LYS211B, LYS211C, MET162B, MET194B, MET194C, MET1B, MET219C, MET247C, MET87C, PHE141B, PHE141C, PHE159B, PHE200C, PRO139B, PRO139C, PRO146B, PRO150B, PRO160B, PRO198C, PRO92C, SER142B, SER142C, SER163B, SER199C, SER251C, SER33C, THR191B, THR202C, THR60C, TYR166B, TYR192B, TYR249C, TYR88C, TYR91C, VAL193B, VAL193C, VAL195C, VAL203C, VAL208B, VAL208C, VAL217C, VAL222B, VAL225B, VAL227B, VAL245C, VAL96C