Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMEQFGMITATASVLPEKIITNNDLSKMMDTSDEWISSRTGIRERRCVTNQETSDLCILVAEKLIKQKNLNPKDLDFILVATMSPDYTTPSVAAQVQGKLGATHAIAFDISAACSGFVYALSMAEKMIRCGSTK-GLVIGGETLSKLIDWSDRTTAVLFGDGAGGILLEANPQKKLLKE-KLAADGTRSSSLTAGYQQNKNPFYSEDSEGSYYLQMTGRDIFDFAVRDVANNIQEV-----MKDKPVDYLLLHQANLRIIEKIARKVKMPQEKFLTNMDKYGNTSAASIPILLDEAVSSGKITLGKQQKVIFTGYGGGLTWGSILMEL
5V0P Chain:A (5-319)---YAEITGWGKCLPPATLSNHDLSTFLDTSDEWIQSRTGIEQRR-ISHVNTSDLATVAAQHAIACAGVSVEEIDLIIVATCSPDSLIPNIASRVQQNLGIPSAAAFDLNAAATGFLYGLETATRLMQASHYRHALVIGAERLSFYLDWTKRDTAVLFGDGAGAVVLSKTEQKVGLQDAQIGCDAQGRDILAVPKFGTAMDRFDADN-GYWAFDFVGKEIFKRAVRGMGAAAQQVLARSGLSTEEIDVVIPHQANIRIIQTLCDLAGIAQDKAFVNIHRYGNTSAATVPIALCEALEQGKIK--PHDDLLVAAFGAGLTWGA-----
Receptor file (based on 5V0P) :5V0P_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :5V0P
Information :PDB TRANSFERASE 28-FEB-17 XXXX

Ligand:

Ligand pdb file :5V0P_CO8_A_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :CO8_A_4
Ligand Type:non-polymer
Ligand Weight:893.730
Ligand Info:OCTANOYL-COENZYME A
Cofactor(s):
5V0P/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 5V0P_CO8_A_4_Into_5V0P_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):7.11 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):11.48 [pKd]
Docking affinity (XScore Software):10.94 [pKd]
Docking affinity (DSX-Score Software):8.75 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):9.6 [pKd]

Useful files:

Alignment file with ligand : complex.pir