1UPF

structure of the uracil phosphoribosyltransferase, mutant c128v bound to the drug 5-fluorouracil

• Total interactions analyzed: 6
• Total true interactions: 6
• Strongest Interaction:
  • Chains: C-B
  • Int. Res.: 186
  • Norm. En. per Res.: -3.7992
• Hub Node: D(3)

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
D-C	0.0	5.4703	-0.2681	5.2022	2	0	0	66	0	2	7
D-B	-62.4508	14.0733	-258.988	-307.3654	105	12	7	12115	4	52	52
D-A	-74.9459	-99.5161	-500.702	-675.164	183	84	16	23066	10	61	48
C-B	-88.2219	-129.7624	-488.664	-706.6483	186	85	16	22950	11	60	48
C-A	-63.2482	16.6046	-282.459	-329.1026	103	21	8	12480	5	52	51
B-A	0.0	4.9418	-0.0499	4.8919	2	0	0	35	0	2	7

Interface residues

• D-C: ARG126C, ARG126D
• D-B: ALA113B, ALA113D, ALA153B, ALA153D, ALA66B, ALA66D, ARG112B, ARG112D, ARG122B, ARG122D, ARG126B, ARG126D, ARG129B, ARG129D, ARG158B, ARG158D, ARG239B, ARG239D, ASP154B, ASP154D, ASP235B, ASP235D, ASP238B, ASP238D, ASP67B, ASP67D, CYS106B, CYS106D, CYS125B, CYS125D, GLN136B, GLN136D, GLU115B, GLU115D, GLU118B, GLU118D, GLU149B, GLU149D, GLU60B, GLU60D, GLU61B, GLU61D, GLY107B, GLY107D, GLY114B, GLY114D, GLY127B, GLY127D, GLY131B, GLY131D, GLY237B, GLY237D, GLY242B, GLY242D, ILE105B, ILE105D, ILE130B, ILE130D, ILE135D, ILE147B, ILE147D, ILE155B, ILE155D, LEU134B, LEU134D, LEU151B, LEU151D, LYS132B, LYS132D, LYS150B, LYS150D, LYS59B, LYS59D, MET244B, MET244D, PHE241B, PHE241D, PHE62B, PHE62D, PHE64B, PHE64D, PRO152B, PRO152D, PRO58B, PRO58D, SER109B, SER109D, SER116B, SER116D, SER119B, SER119D, THR243B, THR243D, TYR148B, TYR148D, TYR240B, TYR240D, VAL108B, VAL108D, VAL111B, VAL111D, VAL128B, VAL128D, VAL63B, VAL63D
• D-A: ALA123A, ALA123D, ALA218A, ALA218D, ALA43A, ALA43D, ALA47A, ALA47D, ALA77A, ALA77D, ARG122A, ARG122D, ARG126A, ARG126D, ARG226A, ARG226D, ARG239A, ARG239D, ARG46A, ARG46D, ARG53A, ARG53D, ARG68A, ARG68D, ARG71A, ARG71D, ASN224A, ASN224D, ASN79A, ASN79D, ASP220A, ASP220D, ASP235A, ASP235D, ASP54A, ASP54D, ASP67A, ASP67D, ASP93A, ASP93D, CYS125A, CYS125D, CYS222A, CYS222D, GLN41A, GLN41D, GLN44A, GLN44D, GLN84A, GLN84D, GLU22A, GLU22D, GLU56A, GLU56D, GLU60A, GLU60D, GLU61A, GLU61D, GLU75A, GLU75D, GLU76A, GLU76D, GLU80A, GLU80D, GLU87A, GLU87D, GLY120A, GLY120D, GLY232A, GLY232D, GLY234A, GLY234D, GLY98A, GLY98D, HIS97A, HIS97D, ILE105A, ILE105D, ILE221A, ILE221D, ILE229A, ILE229D, ILE233A, ILE233D, ILE51A, ILE51D, ILE52A, ILE52D, ILE70A, ILE74A, ILE74D, LEU121A, LEU196A, LEU196D, LEU223A, LEU223D, LEU45A, LEU45D, LEU69A, LEU69D, LEU72A, LEU72D, LEU73D, LEU78A, LEU78D, LEU81A, LEU81D, LEU92A, LEU92D, LYS40A, LYS40D, LYS55A, LYS55D, LYS59A, LYS59D, LYS85A, LYS85D, LYS86A, LYS86D, MET166D, MET244A, MET244D, MET39A, MET48A, MET48D, MET49A, MET49D, PHE101A, PHE101D, PHE236A, PHE236D, PHE62A, PHE62D, PHE64A, PHE64D, PHE83A, PHE83D, PRO231A, PRO231D, PRO58A, PRO58D, PRO82A, PRO82D, PRO91A, PRO91D, SER100A, SER100D, SER225A, SER225D, SER95A, SER95D, THR42A, THR42D, THR50A, THR50D, THR57A, THR57D, THR89A, THR89D, THR90A, THR90D, TYR227A, TYR227D, TYR228A, TYR228D, TYR65A, TYR65D, TYR96A, TYR96D, VAL124A, VAL124D, VAL219A, VAL219D, VAL230A, VAL230D, VAL63A, VAL63D, VAL88A, VAL88D, VAL94A, VAL94D, VAL99A, VAL99D
• C-B: ALA123B, ALA123C, ALA218B, ALA218C, ALA43B, ALA43C, ALA47B, ALA47C, ALA77B, ALA77C, ARG122B, ARG122C, ARG126B, ARG126C, ARG226B, ARG226C, ARG239B, ARG239C, ARG46B, ARG46C, ARG53B, ARG53C, ARG68B, ARG68C, ARG71B, ARG71C, ASN224B, ASN224C, ASN79B, ASN79C, ASP220B, ASP220C, ASP235B, ASP235C, ASP54B, ASP54C, ASP67B, ASP67C, ASP93B, ASP93C, CYS125B, CYS125C, CYS222B, CYS222C, GLN41B, GLN41C, GLN44B, GLN44C, GLN84B, GLN84C, GLU22B, GLU22C, GLU56B, GLU56C, GLU60B, GLU60C, GLU61B, GLU61C, GLU75B, GLU75C, GLU76B, GLU76C, GLU80B, GLU80C, GLU87B, GLU87C, GLY120B, GLY120C, GLY232B, GLY232C, GLY234B, GLY234C, GLY98B, GLY98C, HIS97B, HIS97C, ILE105C, ILE191B, ILE221B, ILE221C, ILE229B, ILE229C, ILE233B, ILE233C, ILE51B, ILE51C, ILE52B, ILE52C, ILE70B, ILE74B, ILE74C, LEU121B, LEU121C, LEU196B, LEU196C, LEU223B, LEU223C, LEU45B, LEU45C, LEU69B, LEU69C, LEU72B, LEU72C, LEU73B, LEU73C, LEU78B, LEU78C, LEU81B, LEU81C, LEU92B, LEU92C, LYS40B, LYS40C, LYS55B, LYS55C, LYS59C, LYS85B, LYS85C, LYS86B, LYS86C, MET161B, MET161C, MET166B, MET166C, MET244B, MET244C, MET48B, MET48C, MET49B, MET49C, PHE101B, PHE101C, PHE236B, PHE236C, PHE62B, PHE62C, PHE64B, PHE64C, PHE83B, PHE83C, PRO231B, PRO231C, PRO58B, PRO58C, PRO82B, PRO82C, PRO91B, PRO91C, SER100B, SER100C, SER225B, SER225C, SER95B, SER95C, THR42B, THR42C, THR50B, THR50C, THR57B, THR57C, THR89B, THR89C, THR90B, THR90C, TYR227B, TYR227C, TYR228B, TYR228C, TYR65B, TYR65C, TYR96B, TYR96C, VAL124B, VAL124C, VAL219B, VAL219C, VAL230B, VAL230C, VAL63B, VAL63C, VAL88B, VAL88C, VAL94B, VAL94C, VAL99B, VAL99C
• C-A: ALA113A, ALA113C, ALA153A, ALA153C, ALA66A, ALA66C, ARG112A, ARG112C, ARG122A, ARG122C, ARG126A, ARG126C, ARG129A, ARG129C, ARG158A, ARG158C, ARG239A, ARG239C, ASP154A, ASP154C, ASP235A, ASP235C, ASP238A, ASP238C, ASP67A, ASP67C, CYS106A, CYS106C, CYS125A, CYS125C, GLN136A, GLN136C, GLU115A, GLU115C, GLU118A, GLU118C, GLU149A, GLU149C, GLU60A, GLU60C, GLU61A, GLU61C, GLY107A, GLY107C, GLY127A, GLY127C, GLY131A, GLY131C, GLY237A, GLY237C, GLY242A, GLY242C, ILE105A, ILE105C, ILE130A, ILE130C, ILE135A, ILE135C, ILE147A, ILE147C, ILE155A, ILE155C, LEU134A, LEU134C, LEU151A, LEU151C, LYS104A, LYS132A, LYS132C, LYS150A, LYS150C, LYS59A, LYS59C, MET244A, MET244C, PHE241A, PHE241C, PHE62A, PHE62C, PHE64A, PHE64C, PRO152A, PRO152C, PRO58A, PRO58C, SER109A, SER109C, SER116A, SER116C, SER119A, SER119C, THR243A, THR243C, TYR148A, TYR148C, TYR240A, TYR240C, VAL111A, VAL111C, VAL128A, VAL128C, VAL63A, VAL63C
• B-A: ARG126A, ARG126B