Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTKSKPIIIGVTGGSGSGKTSVSRAIFN----NFPDHSIMMLEQDSYYKDQSHLSFEERLNT-----NYDHPFAFDNDLLIQHVGDLLNYKAIEKPVYDYVAHTRSQATIIQEPKEVIILEGILILEDERLRDLMDIKVYVDTDDDIRIIRRIKRDMEERGRTLDSVIEQYLTVVKPMYHQFIEPTKRYADIIVPEGGENHVAIDLITTKVASFLNHK
1UEJ Chain:B (20-232)---GEPFLIGVSGGTASGKSSVCAKIVQLLGQ---QKQVVILSQDSFYR---VLTSEQKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDISERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIVQHIQDILN--
Receptor file (based on 1UEJ) :1UEJ_CHAIN_B.gz

Template (Experimental Origine of Ligand):

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

Ligand:

Ligand pdb file :1UEJ_CTN_D_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :CTN_D_4
Ligand Type:non-polymer
Ligand Weight:243.219
Ligand Info:4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE
Cofactor(s):
1UEJ/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1UEJ_CTN_D_4_Into_1UEJ_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.98 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):9.13 [pKd]
Docking affinity (XScore Software):8.3 [pKd]
Docking affinity (DSX-Score Software):6.55 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):7.2 [pKd]

Useful files:

Alignment file with ligand : complex.pir