Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKIRGFELVSSFTDEN-LLPKRETAHAAGYDLKVAVRTVVAPGEIVLVPTGVKAYMQPTEVLYLYDRSSNPRKKGLVLINSVGVIDGDYYGNPGNEGHIFAQMKNITDQEVVLEVGERIVQAVFATFLIADGDAAD-----GVRT-GGFGSTGH
4OOP Chain:B (25-166)---PSPFFKVKKLSEKAVIPTRGSPLSAGYDLSSAVDSKVPARGKALIPTDLSIAVPEGTYARIAPRSGLAWKHSIDV--GAGVIDADYR------GPVGVILFNHSDADFEVKFGDRIAQLIIEKIVTPD-VVEVDDLDETVRGDGGFGSTGV
Receptor file (based on 4OOP) :4OOP_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4OOP
Information :PDB HYDROLASE 03-FEB-14 XXXX

Ligand:

Ligand pdb file :4OOP_DUP_B_8.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :DUP_B_8
Ligand Type:non-polymer
Ligand Weight:467.159
Ligand Info:2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE
Cofactor(s):
4OOP/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4OOP_DUP_B_8_Into_4OOP_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):2.19 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):4.00 [pKd]
Docking affinity (XScore Software):6.73 [pKd]
Docking affinity (DSX-Score Software):5.07 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir