3FUC

recombinant calf purine nucleoside phosphorylase in a binary complex with multisubstrate analogue inhibitor 9-(5',5'- difluoro-5'-phosphonopentyl)-9-deazaguanine structure in a new space group with one full trimer in the asymmetric unit

• Total interactions analyzed: 3
• Total true interactions: 3
• Strongest Interaction:
  • Chains: A-C
  • Int. Res.: 108
  • Norm. En. per Res.: -4.4572
• 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	-84.6694	-25.4705	-364.207	-474.3469	108	13	8	13775	2	24	28
A-C	-89.138	-26.2216	-366.02	-481.3796	108	13	8	13796	2	25	27
B-C	-96.009	-56.7537	-318.617	-471.3797	115	19	8	14161	5	25	28

Interface residues

• A-B: ALA161B, ALA165B, ALA204A, ALA214B, ALA255A, ARG133B, ARG148B, ARG158B, ARG168B, ARG171B, ARG207A, ARG229B, ASN137A, ASN137B, ASN145B, ASN151B, ASN199A, ASN211A, ASN211B, ASN256A, ASN3B, ASP134B, ASP164B, ASP215B, ASP248A, CYS206A, GLN252A, GLU144A, GLU144B, GLU201A, GLU205A, GLU250A, GLU258A, GLU89A, GLY140A, GLY140B, GLY143A, GLY143B, GLY149B, GLY190B, GLY196A, GLY197A, GLY213B, GLY232B, GLY253A, GLY90A, HIS135B, HIS230B, HIS257A, HIS86A, ILE136A, ILE136B, ILE226B, ILE246A, LEU138A, LEU138B, LEU147B, LEU195A, LEU208A, LEU208B, LEU209A, LEU209B, LEU212A, LEU212B, LEU261A, LYS254A, LYS95A, MET162B, MET194A, MET194B, MET219A, MET247A, MET87A, PHE141A, PHE141B, PHE159B, PHE200A, PHE93A, PRO139A, PRO139B, PRO146B, PRO150B, PRO160B, PRO198A, PRO92A, SER142A, SER142B, SER163B, SER251A, SER33A, THR191B, THR202A, TRP94A, TYR166B, TYR192B, TYR249A, TYR88A, TYR91A, VAL157B, VAL193A, VAL193B, VAL203A, VAL217A, VAL222B, VAL225B, VAL245A, VAL260A, VAL96A
• A-C: ALA161A, ALA165A, ALA204C, ALA214A, ALA255C, ARG133A, ARG148A, ARG158A, ARG168A, ARG171A, ARG207C, ARG229A, ASN137A, ASN137C, ASN145A, ASN151A, ASN199C, ASN211A, ASN211C, ASN256C, ASN3A, ASP134A, ASP164A, ASP215A, ASP248C, CYS206C, GLN252C, GLU144A, GLU144C, GLU201C, GLU205C, GLU250C, GLU258C, GLU89C, GLY140A, GLY140C, GLY143A, GLY143C, GLY149A, GLY190A, GLY196C, GLY197C, GLY213A, GLY232A, GLY253C, GLY90C, HIS135A, HIS230A, HIS257C, HIS86C, ILE136A, ILE136C, ILE226A, ILE246C, LEU138A, LEU138C, LEU147A, LEU195C, LEU208A, LEU208C, LEU209A, LEU209C, LEU212A, LEU212C, LEU261C, LYS254C, LYS95C, MET162A, MET194A, MET194C, MET219C, MET247C, MET87C, PHE141A, PHE141C, PHE159A, PHE200C, PHE93C, PRO139A, PRO139C, PRO146A, PRO150A, PRO160A, PRO198C, PRO92C, SER142A, SER142C, SER163A, SER251C, SER33C, THR191A, THR202C, TRP94C, TYR166A, TYR192A, TYR249C, TYR88C, TYR91C, VAL157A, VAL193A, VAL193C, VAL203C, VAL217C, VAL222A, VAL225A, VAL245C, VAL260C, VAL96C
• B-C: ALA161C, ALA165C, ALA204B, ALA214C, ALA255B, ARG101C, ARG133C, ARG148C, ARG158C, ARG168C, ARG171C, ARG207B, ARG229C, ASN137B, ASN137C, ASN145B, ASN145C, ASN151C, ASN199B, ASN211B, ASN211C, ASN256B, ASN3C, ASP134C, ASP164C, ASP215C, ASP248B, CYS206B, GLN252B, GLU144B, GLU144C, GLU152C, GLU153C, GLU189C, GLU201B, GLU205B, GLU250B, GLU258B, GLU89B, GLU8B, GLY140B, GLY140C, GLY143B, GLY143C, GLY149C, GLY156C, GLY190C, GLY196B, GLY197B, GLY213C, GLY232C, GLY253B, GLY90B, HIS135C, HIS230C, HIS257B, HIS86B, ILE136B, ILE136C, ILE226C, ILE246B, LEU138B, LEU138C, LEU147C, LEU195B, LEU208B, LEU208C, LEU209B, LEU209C, LEU212B, LEU212C, LEU261B, LYS254B, LYS95B, MET162C, MET194B, MET194C, MET219B, MET247B, MET87B, PHE141B, PHE141C, PHE159C, PHE200B, PHE93B, PRO139B, PRO139C, PRO146C, PRO150C, PRO160C, PRO198B, PRO92B, SER142B, SER142C, SER163C, SER251B, SER33B, THR191C, THR202B, TRP94B, TYR166C, TYR192C, TYR249B, TYR88B, TYR91B, VAL157C, VAL193B, VAL193C, VAL203B, VAL217B, VAL222C, VAL225C, VAL245B, VAL260B, VAL96B