3NBQ

human uridine phosphorylase 1 (hupp1) with 5-fluorouracil

• Total interactions analyzed: 6
• Total true interactions: 3
• Strongest Interaction:
  • Chains: C-D
  • Int. Res.: 249
  • Norm. En. per Res.: -3.6225
• 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	-125.9383	-41.4796	-740.481	-907.8989	251	28	23	30168	7	80	58
A-C	-26.8986	0.0	-123.805	-150.7036	62	5	8	5262	0	7	18
C-D	-130.7431	-34.9524	-736.301	-901.9966	249	30	23	29922	9	79	57

Interface residues

• A-B: ALA223A, ALA223B, ALA234A, ALA234B, ALA238B, ALA256A, ALA256B, ALA260A, ALA260B, ALA90A, ARG138A, ARG138B, ARG175A, ARG175B, ARG178A, ARG178B, ARG20A, ARG20B, ARG219A, ARG219B, ARG275A, ARG275B, ARG285A, ARG285B, ARG43A, ARG43B, ARG64A, ARG64B, ARG94A, ARG94B, ASN23A, ASN23B, ASN25A, ASN25B, ASN38A, ASN38B, ASP160A, ASP160B, ASP212A, ASP212B, ASP221A, ASP221B, ASP231A, ASP231B, ASP279A, ASP279B, ASP32A, ASP32B, ASP93A, ASP93B, CYS162A, CYS162B, CYS209A, CYS209B, CYS225A, CYS225B, CYS258A, CYS258B, CYS261A, CYS261B, CYS89A, GLN169A, GLN169B, GLN217A, GLN217B, GLN233A, GLN233B, GLN280A, GLN280B, GLN292A, GLN292B, GLU121A, GLU121B, GLU168A, GLU168B, GLU215A, GLU215B, GLU229A, GLU229B, GLU250A, GLU250B, GLU31A, GLU31B, GLY109A, GLY109B, GLY111A, GLY111B, GLY140A, GLY140B, GLY173A, GLY173B, GLY216A, GLY216B, GLY218A, GLY218B, GLY222A, GLY222B, GLY59B, GLY60A, GLY60B, GLY91A, GLY91B, HIS108A, HIS108B, HIS120A, HIS120B, HIS36A, HIS36B, HIS44B, ILE112A, ILE112B, ILE115A, ILE115B, ILE117A, ILE117B, ILE123A, ILE123B, ILE170A, ILE170B, ILE177A, ILE177B, ILE26A, ILE26B, ILE281A, ILE281B, ILE33A, ILE33B, LEU119A, LEU119B, LEU122A, LEU122B, LEU125A, LEU125B, LEU172A, LEU172B, LEU211A, LEU211B, LEU21A, LEU21B, LEU220A, LEU220B, LEU224A, LEU224B, LEU22A, LEU22B, LEU236A, LEU236B, LEU263A, LEU272A, LEU272B, LEU288A, LEU288B, LEU34A, LEU34B, LEU39B, LYS124A, LYS124B, LYS174A, LYS174B, LYS230A, LYS230B, LYS232A, LYS232B, LYS28A, LYS28B, LYS30A, LYS30B, MET110A, MET110B, MET118A, MET118B, MET208A, MET208B, MET249A, MET249B, MET257A, MET257B, MET29A, MET29B, MET65A, MET65B, PHE163A, PHE163B, PHE167A, PHE167B, PHE213A, PHE213B, PHE37A, PHE37B, PRO113A, PRO113B, PRO24A, PRO24B, PRO284A, PRO62A, PRO62B, SER107A, SER107B, SER114A, SER114B, SER116A, SER116B, SER142A, SER142B, SER226A, SER226B, SER259B, SER282A, SER282B, SER283A, SER283B, SER61A, SER61B, SER63A, SER63B, THR141A, THR141B, THR161A, THR161B, THR210A, THR210B, THR228A, THR228B, THR40A, THR40B, THR41A, THR41B, THR92A, THR92B, TYR127A, TYR127B, TYR128A, TYR128B, TYR214A, TYR214B, TYR227A, TYR227B, TYR235A, TYR235B, TYR35A, TYR35B, TYR95A, TYR95B, VAL171A, VAL171B, VAL176A, VAL176B, VAL19A, VAL19B, VAL253A, VAL253B
• A-C: ALA195A, ALA195C, ARG245A, ARG245C, CYS193A, CYS193C, GLN188A, GLN188C, GLU148A, GLU148C, GLU156A, GLU156C, GLU189A, GLU189C, GLU196A, GLU196C, GLU199A, GLU199C, GLY205A, GLY205C, ILE154A, ILE154C, LEU147A, LEU147C, LEU190A, LEU190C, LEU191A, LEU191C, LEU192A, LEU192C, LEU197A, LEU197C, LEU298A, LEU298C, LYS184A, LYS184C, LYS185A, LYS305A, LYS305C, PHE200A, PHE200C, SER194A, SER194C, SER198A, SER198C, THR151A, THR151C, THR201A, THR201C, THR202A, THR202C, TYR240C, TYR301A, TYR301C, VAL152A, VAL152C, VAL187A, VAL187C, VAL203A, VAL203C, VAL204A, VAL204C
• C-D: ALA223C, ALA223D, ALA234C, ALA234D, ALA238D, ALA256C, ALA256D, ALA260C, ALA260D, ALA90C, ALA90D, ARG138D, ARG175C, ARG175D, ARG178C, ARG178D, ARG20C, ARG20D, ARG219C, ARG219D, ARG275C, ARG275D, ARG285C, ARG285D, ARG43C, ARG43D, ARG64C, ARG64D, ARG94C, ARG94D, ASN23C, ASN23D, ASN25C, ASN25D, ASN38C, ASN38D, ASP160C, ASP160D, ASP212C, ASP212D, ASP221C, ASP221D, ASP231C, ASP231D, ASP279C, ASP279D, ASP32C, ASP32D, ASP93C, ASP93D, CYS162C, CYS162D, CYS209C, CYS209D, CYS225C, CYS225D, CYS258C, CYS258D, CYS261C, CYS261D, CYS89D, GLN169C, GLN169D, GLN217C, GLN217D, GLN233C, GLN233D, GLN280C, GLN280D, GLN292C, GLN292D, GLU121C, GLU121D, GLU168C, GLU168D, GLU215C, GLU215D, GLU229C, GLU229D, GLU250C, GLU250D, GLU31C, GLU31D, GLY109C, GLY109D, GLY111C, GLY111D, GLY173C, GLY173D, GLY216C, GLY216D, GLY218C, GLY218D, GLY222C, GLY222D, GLY60C, GLY60D, GLY91C, GLY91D, HIS108C, HIS108D, HIS120C, HIS120D, HIS36C, HIS36D, HIS44C, ILE112C, ILE112D, ILE115C, ILE115D, ILE117C, ILE117D, ILE123C, ILE123D, ILE170C, ILE170D, ILE177C, ILE177D, ILE26C, ILE26D, ILE281C, ILE281D, ILE33C, ILE33D, LEU119C, LEU119D, LEU122C, LEU122D, LEU125C, LEU125D, LEU172C, LEU172D, LEU211C, LEU211D, LEU21C, LEU21D, LEU220C, LEU220D, LEU224C, LEU224D, LEU22C, LEU22D, LEU236C, LEU236D, LEU263C, LEU263D, LEU272C, LEU272D, LEU288C, LEU288D, LEU34C, LEU34D, LEU39C, LYS124C, LYS124D, LYS174C, LYS174D, LYS230C, LYS230D, LYS232C, LYS232D, LYS28C, LYS28D, LYS30C, LYS30D, MET110C, MET110D, MET118C, MET118D, MET208C, MET208D, MET249C, MET249D, MET257C, MET257D, MET29C, MET29D, MET65C, MET65D, PHE163C, PHE163D, PHE167C, PHE167D, PHE213C, PHE213D, PHE37C, PHE37D, PRO113C, PRO113D, PRO24C, PRO24D, PRO284C, PRO62C, PRO62D, SER107C, SER107D, SER114C, SER114D, SER116C, SER116D, SER142C, SER226C, SER226D, SER259C, SER259D, SER282C, SER282D, SER283C, SER283D, SER61C, SER61D, SER63C, SER63D, THR141C, THR141D, THR161C, THR161D, THR210C, THR210D, THR228C, THR228D, THR40C, THR40D, THR41C, THR41D, THR92C, THR92D, TYR127C, TYR127D, TYR128C, TYR128D, TYR214C, TYR214D, TYR227C, TYR227D, TYR235C, TYR235D, TYR35C, TYR35D, TYR95C, TYR95D, VAL171C, VAL171D, VAL176C, VAL176D, VAL19C, VAL19D, VAL253C, VAL253D