Protein/Ligand Complex result page :


Receptor Model:

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

Template (Experimental Origine of Ligand):

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

Ligand:

Ligand pdb file :2PIU_4HY_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :4HY_A_3
Ligand Type:non-polymer
Ligand Weight:621.936
Ligand Info:[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5-DIIODO-PHENYL]-ACETIC ACID
Cofactor(s):
2PIU/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2PIU_4HY_A_3_Into_2PIU_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-1.48 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-0.42 [pKa]
Docking affinity (XScore Software):-9.23 [pKa]
Docking affinity (DSX-Score Software):-4.05 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.8 [pKa]

Useful files:

Alignment file with ligand : complex.pir