Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSWAARPPFLPQRHAAGQCGPVGVRKEMHCGVASRWRRRRPWLDPAAAAAAAVAGGEQQTPEPEPGEAGRDGMGDSGRDSRSPDSSSPNPLPQGVPPPSPPGPPLPPSTAPSLGGSGAPPPPPMPPPPLGSPFPVISSSMGSPGLPPPAPPGFSGPVSSPQINSTVSLPGGGSGPPEDVKPPVLGVRGLHCPPPPGGPGAGKRLCAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLTYSCRDNKDCTVDKRQRNRCQYCRYQKCLATGMKREAVQEERQRGKDKDGDGEGAGGAPEEMPVDRILEAELAVEQKSDQGVEGPGGTGGSGSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSSLPLDDQVILLRAGWNELLIASFSHRSIDVRDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMRMDKTELGCLRAIILFNPDAKGLSNPSEVEVLREKVYASLETYCKQKYPEQQGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQLA
3OZJ Chain:A (3-234)-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NEDMPVERILEAELAVE-------------------PNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAP----
Receptor file (based on 3OZJ) :3OZJ_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3OZJ
Information :PDB TRANSCRIPTION 25-SEP-10 XXXX

Ligand:

Ligand pdb file :3OZJ_BGV_A_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :BGV_A_5
Ligand Type:non-polymer
Ligand Weight:304.342
Ligand Info:(3AR,4S,4AR,7AR,8R,9AS)-4A,8-DIMETHYL-3-METHYLIDENE-2,5-DIOXO-2,3,3A,4,4A,5,7A,8,9,9A-DECAHYDROAZULENO[6,5-B]FURAN-4-YL ACETATE
Cofactor(s):
3OZJ/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3OZJ_BGV_A_5_Into_3OZJ_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-2.30 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-3.90 [pKa]
Docking affinity (XScore Software):-4.4 [pKa]
Docking affinity (DSX-Score Software):-5.56 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-4.0 [pKa]

Useful files:

Alignment file with ligand : complex.pir