Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLAHYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS
5U4H Chain:A (4-421)MDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLARYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS
Receptor file (based on 5U4H) :5U4H_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :5U4H
Information :PDB LIPID-BINDING PROTEIN 04-DEC-16 XXXX

Ligand:

Ligand pdb file :5U4H_0V5_A_11.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :0V5_A_11
Ligand Type:non-polymer
Ligand Weight:170.058
Ligand Info:(2R)-2-(phosphonooxy)propanoic acid
Cofactor(s):
5U4H/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 5U4H_0V5_A_11_Into_5U4H_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):0 [pKd]
Docking affinity (XScore Software):3.4 [pKd]
Docking affinity (DSX-Score Software):3.52 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir