Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSSSPGPAPVLDSSKADRGASPALLPRLYASPLGMDNQTVCIPSPYVEACQDYSPPHGGEFNHGALTLYSPVSSAVLGFHRPPVSESLVPLSPTILWPPHSLHCPPPLAYSETRSHSAWEEAKTHTLSQSSSVLSHTKLLGQQLEGDNGLNPSASIVGKGDTHFCAVCHDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKSRRKSCQACRLRKCYEVGMMKCGVRRERCSYRGARHRRNPQIRDSSGGVVGLRGQSQQHLEFPLSPSQHLFPSGGRAEGRALNYSPEQLVSCILEAEPPQIYLREPVKKPYTEASMMMSLTSLADKELVLMISWAKKIPGFVELTLSDQVHLLECCWLDILMLGLMWRSVDHPGKLIFTPDLKLNREEGNCVEGIMEIFDMLLATTSRFRELKLQREEYVCLKAMILLNSNNCSSLPQTPEDVESRGKVLNLLDSVTDALVWIISRTGLSSQQQSIRLAHLLMLLSHIRHLSNKGIEHLSNMKRKNVVLLYDLLLEMLDANASQSSRMLEDRQQSPENLHTSRPQPDLKDSDQETPHSPRAEEMVNKTLHSSLLREDMDTN
4PP6 Chain:B (3-243)---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ALSLTADQMVSALLDAEPPILYSEYD----FSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYT----------EKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHR-----------------------------------------------------------
Receptor file (based on 4PP6) :4PP6_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4PP6
Information :PDB PROTEIN BINDING 26-FEB-14 XXXX

Ligand:

Ligand pdb file :4PP6_STL_B_6.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :STL_B_6
Ligand Type:non-polymer
Ligand Weight:228.247
Ligand Info:RESVERATROL
Cofactor(s):
4PP6/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4PP6_STL_B_6_Into_4PP6_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-3.59 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-2.48 [pKa]
Docking affinity (XScore Software):-8.01 [pKa]
Docking affinity (DSX-Score Software):-5.64 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-4.9 [pKa]

Useful files:

Alignment file with ligand : complex.pir