Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTKSKPIIIGVTGGSGSGKTSVSRAIFN-------NFPDHSIMMLEQDSYYKDQSHLSFEERLNT-----NYDHPFAFDNDLLIQHVGDLLNYKAIEKPVYDYVAHTRSQATIIQEPKEVIILEGILILEDERLRDLMDIKVYVDTDDDIRIIRRIKRDMEERGRTLDSVIEQYLTVVKPMYHQFIEPTKRYADIIVPEGGENHVAIDLITTKVASFLNHK
1XRJ Chain:B (19-230)----EPFLIGVSGGTASGKSSVCAKIVQLLGQNEVDYRQKQVVILSQDSFYR---VLTSEQKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDISERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIVQHIQDILN--
Receptor file (based on 1XRJ) :1XRJ_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1XRJ
Information :PDB TRANSFERASE 14-OCT-04 XXXX

Ligand:

Ligand pdb file :1XRJ_ADP_B_8.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADP_B_8
Ligand Type:non-polymer
Ligand Weight:427.203
Ligand Info:ADENOSINE-5'-DIPHOSPHATE
Cofactor(s):
1XRJ/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1XRJ_ADP_B_8_Into_1XRJ_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):1.39 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):5.46 [pKd]
Docking affinity (XScore Software):9.22 [pKd]
Docking affinity (DSX-Score Software):5.49 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.4 [pKd]

Useful files:

Alignment file with ligand : complex.pir