Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMLLEFTKMHGLGNDFMVVDLISQRAYLDTATIQRLADRHFGVGFDQLLIVEPPDVPEADFKYRIFNADGSEVEQCGNGVRCFARFVHERHLTNKTNITVQTKAGIVKPELGQNGWVRVNMGYPKFLPNEIPFVADEPEALYTLELANDQNISIDVVNMGNPHAVTIVPDVLTADVAGIGPQVESHKRFPERINAGFMQVIDDKHVRLRVFERCVGETLACGTGACAAAVSGMRRGLLANSVEVELAGGKLQIEWQE-GDVVWMTGPTTHVYDGRLDLRYFQG
2Q9H Chain:A (1-274)--MQFSKMHGLGNDFVVVDGVTQNVFFTPETIRRLANRHCGIGFDQLLIVEAPYDPELDFHYRIFNADGSEVSQSGNGARCFARFVTLKGLTNKKDISVSTQKGNMVLTVKDDNQIRVNMGEPIWEPAKIPFTANKFEKNYILR-TDIQTVLCGAVSMGNPHCVVQVDDIQTANVEQLGPLLESHERFPERVNAGFMQIINKEHIKLRVYERGAGETQACGSGACAAVAVGIMQGLLNNNVQVDLPGGSLMIEWNGVGHPLYMTGEATHIYDGFITL-----
Receptor file (based on 2Q9H) :2Q9H_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2Q9H
Information :PDB ISOMERASE 12-JUN-07 XXXX

Ligand:

Ligand pdb file :2Q9H_TLA_A_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :TLA_A_2
Ligand Type:non-polymer
Ligand Weight:150.088
Ligand Info:L(+)-TARTARIC ACID
Cofactor(s):
2Q9H/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2Q9H_TLA_A_2_Into_2Q9H_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):1.76 [pKd]
Docking affinity (XScore Software):4.13 [pKd]
Docking affinity (DSX-Score Software):4.68 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir