Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTKSKPIIIGVTGGSGSGKTSVSRAIFN--NFPDHSIMMLEQDSYYKDQSHLSFEERLNT-----NYDHPFAFDNDLLIQHVGDLLNYKAIEKPVYDYVAHTRSQATIIQEPKEVIILEGILILEDERLRDLMDIKVYVDTDDDIRIIRRIKRDMEERGRTLDSVIEQYLTVVKPMYHQFIEPTKRYADIIVPEGGENHVAIDLITTKVASFLNHK
1UDW Chain:A (21-232)----EPFLIGVSGGTASGKSSVCAKIVQLL---QKQVVILSQDSFYR---VLTSEQKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDISERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIVQHIQDILN--
Receptor file (based on 1UDW) :1UDW_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1UDW
Information :PDB TRANSFERASE 07-MAY-03 XXXX

Ligand:

Ligand pdb file :1UDW_CTP_C_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :CTP_C_3
Ligand Type:non-polymer
Ligand Weight:483.158
Ligand Info:CYTIDINE-5'-TRIPHOSPHATE
Cofactor(s):
1UDW/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1UDW_CTP_C_3_Into_1UDW_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):6.64 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):13.12 [pKd]
Docking affinity (XScore Software):11.57 [pKd]
Docking affinity (DSX-Score Software):7.45 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):9.7 [pKd]

Useful files:

Alignment file with ligand : complex.pir