Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAPVSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIREGLCQLTPAGSNIA--ILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK
3UWU Chain:B (9-258)----MRTPIIAGNWKMNKTVQEAKDFVNALPTLPDSKEVESVIC----AP-AIQLDALTTAVKEGKAQGLEIGAQNTYFEDNGAFTGETSPVALADLGVKYVVIGHSERRELFHETDEEINKKAHAIFKHGMTPIICVGETDEERESGKANDVVGEQVKKAVAGLSEDQLKS-VVIAYEPIWAIGTGKSSTSEDANEMCAFVRQTIADLSSKEVSEATRIQYGGSVKPNNIKEYMAQTDIDGALVGGASLKVEDFVQLLE------
Receptor file (based on 3UWU) :3UWU_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3UWU
Information :PDB ISOMERASE 03-DEC-11 XXXX

Ligand:

Ligand pdb file :3UWU_G3P_B_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :G3P_B_5
Ligand Type:non-polymer
Ligand Weight:172.074
Ligand Info:SN-GLYCEROL-3-PHOSPHATE
Cofactor(s):
3UWU/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3UWU_G3P_B_5_Into_3UWU_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):1.74 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):3.67 [pKd]
Docking affinity (XScore Software):5.87 [pKd]
Docking affinity (DSX-Score Software):5.33 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.2 [pKd]

Useful files:

Alignment file with ligand : complex.pir