Protein/Ligand Complex result page :


Receptor Model:

Query sequenceGNEIADSTVSLVKFIKPDPDAIFSSTCFGDTVSSDPAFSIPIKQESCKNTCSSALFKGSQSANPFPFMDGSYFAFMDDKDYYSLSGILGPPVSSFGDGFEGNGFSNQSLNVAIKQETEDSSFYPENNMPSSAIVGVNSCGQSFHYRIGAQGTISLSRPLNRDQSFQNLSSFPPMSSLVESWKTQSELAQNTLSSRRNDGFPVPGYIPENMSSTTLRSMSTGPSRPSKVCLVCGDEASGCHYGVVTCGSCKVFFKRAVEGKCSRQHSYLCAGRNDCIIDKIRRKNCPACRLQKCLQAGMNLGARKSKKLGKLKGVHEEHPQQPLQQTPTASPKEDTTLTSSSKEPSANSNSLVPLISAVSPAITLSAAVILENIEPEIVYAGYDNTQPDTAENLLSSLNQLAGKQMVQVVKWAKVIPGFRNLPLEDQITLIQYSWMCLSSFALSWRSYKHASSQFLYFAPDLIFNEERMRQSAMYDLCQGMQQISLEFSRLQLTFEEYTLMKVLLLLSTVPKDGLKCQAAFEEMRVNYIKELRKVLLKSPHNSGQSWQRYFQLTKLLDSMQDLVGDLLEFCFYTFRESQALKVEFPAMLVEIISDQLPKVESGIAKPLYFHRK
2PIW Chain:A (8-249)--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHT-
Receptor file (based on 2PIW) :2PIW_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2PIW
Information :PDB HORMONE RECEPTOR 13-APR-07 XXXX

Ligand:

Ligand pdb file :2PIW_T3_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :T3_A_3
Ligand Type:non-polymer
Ligand Weight:650.978
Ligand Info:3,5,3'TRIIODOTHYRONINE
Cofactor(s):
2PIW/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2PIW_T3_A_3_Into_2PIW_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-1.43 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-1.28 [pKa]
Docking affinity (XScore Software):-9.23 [pKa]
Docking affinity (DSX-Score Software):-4.03 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-4.0 [pKa]

Useful files:

Alignment file with ligand : complex.pir