Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLAHYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS
1UAE Chain:A (1-416)MDKFRVQGPTKLQGEVTISGAKNAALPILFAALLAEEPVEIQNVPKLKDVDTSMKLLSQLGAKVE-RNGSVHIDARDVNVFCAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGCTIGARPVDLHISGLEQLGATIKLEEGYVKASVDGRLKGAHIVMDKVSVGATVTIMCAATLAEGTTIIENAAREPEIVDTANFLITLGAKISGQGTDRIVIEGVERLGGGVYRVLPDRIETGTFLVAAAISRGKIICRNAQPDTLDAVLAKLRDAGADIEVGEDWISLDMHGKRPKAVNVRTAPHPAFPTDMQAQFTLLNLVAEGTGFITETVFENRFMHVPELSRMGAHAEIESNTVICHGVEKLSGAQVMATDLRASASLVLAGCIAEGTTVVDRIYHIDRGYERIEDKLRALGANIERV-
Receptor file (based on 1UAE) :1UAE_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1UAE
Information :PDB TRANSFERASE 30-SEP-96 XXXX

Ligand:

Ligand pdb file :1UAE_FCN_G_7.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :FCN_G_7
Ligand Type:non-polymer
Ligand Weight:138.060
Ligand Info:FOSFOMYCIN
Cofactor(s):
1UAE/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1UAE_FCN_G_7_Into_1UAE_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0.57 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):4.05 [pKd]
Docking affinity (XScore Software):4.11 [pKd]
Docking affinity (DSX-Score Software):3.75 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir