Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTKSKPIIIGVTGGSGSGKTSVSRAIFN----NFPDHSIMMLEQDSYYKDQSHLSFEERLNT-----NYDHPFAFDNDLLIQHVGDLLNYKAIEKPVYDYVAHTRSQATIIQEPKEVIILEGILILEDERLRDLMDIKVYVDTDDDIRIIRRIKRDMEERGRTLDSVIEQYLTVVKPMYHQFIEPTKRYADIIVPEGGENHVAIDLITTKVASFLNHK
1UEI Chain:B (21-232)----EPFLIGVSGGTASGKSSVCAKIVQLLGQ-YRQKQVVILSQDSFYR---VLTSEQKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDISERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIVQHIQDILN--
Receptor file (based on 1UEI) :1UEI_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1UEI
Information :PDB TRANSFERASE 16-MAY-03 XXXX

Ligand:

Ligand pdb file :1UEI_UTP_D_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :UTP_D_4
Ligand Type:non-polymer
Ligand Weight:484.143
Ligand Info:URIDINE 5'-TRIPHOSPHATE
Cofactor(s):
1UEI/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1UEI_UTP_D_4_Into_1UEI_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):7.37 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):15.00 [pKd]
Docking affinity (XScore Software):10.89 [pKd]
Docking affinity (DSX-Score Software):7.05 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):10.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir