Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSEYPEGDSPLLQLQEVDSGRVGGHILSPIFNSSSPSLPVENHPICIPSPYTDLGHDFSTLPFYSPALLGYSTSPLSDCSSVRQSLSPTLFWPPHSHVSSLTLQQQSRLQQNHATSGTWTEHTPHDHVEEENSKPLVKRVADTEETSVSLRGKADMHYCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMMKCGLRRDRSSYQQRGAQQKRLVRFSGRMRMTGPRSQEIKSIPRPLSGNEVVRISLSPEELISRIMEAEPPEIYLMKDMKKPFTEANVMMSLTNLADKELVHMISWAKKIPGFVELSLFDQVHLLECCWLEVLMLGLMWRSVNHPGKLIFSPDLCLSRDESSCVQGLVEIFDMLLAATSRFRELKLQREEYVCLKAMILLNSNMCLGSSEGGEDLQSRSKLLCLLDSVTDALVWAISKTGLSFQQRSTRLAHLLMLLSHIRHVSNKGMDHLHCMKMKKMVPLYDLLLEMLDAHIMHSSRLSHSGPRAPAAHKDNKSVQEAFPCSSQHGP
2QH6 Chain:A (8-252)---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NSLALSLTADQMVSALLDAEPPILYSEYD--RPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTF----------KDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKN-VPLSDLLLEMLDAHR-----------------------------------
Receptor file (based on 2QH6) :2QH6_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2QH6
Information :PDB TRANSCRIPTION 29-JUN-07 XXXX

Ligand:

Ligand pdb file :2QH6_ODE_A_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ODE_A_5
Ligand Type:non-polymer
Ligand Weight:424.449
Ligand Info:DIETHYL (1R,2S,3R,4S)-5,6-BIS(4-HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT-5-ENE-2,3-DICARBOXYLATE
Cofactor(s):
2QH6/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2QH6_ODE_A_5_Into_2QH6_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-2.36 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-2.42 [pKa]
Docking affinity (XScore Software):-6.11 [pKa]
Docking affinity (DSX-Score Software):-6.40 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-4.3 [pKa]

Useful files:

Alignment file with ligand : complex.pir