Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTPNSMTENGLTAWDKPKHCPDREHDWKLVGMSEACLHRKSHSERRSTLKNEQSSPHLIQTTWTSSIFHLDHDDVNDQSVSSAQTFQTEEKKCKGYIPSYLDKDELCVVCGDKATGYHYRCITCEGCKGFFRRTIQKNLHPSYSCKYEGKCVIDKVTRNQCQECRFKKCIYVGMATDLVLDDSKRLAKRKLIEENREKRRREELQKSIGHKPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAPIVNAPEGGKVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED
1BSX Chain:A (10-260)------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KPEPTDEEWELIKTVTEAHVATNAQGSHWKQKRKFLPEDIGQAP--------KVDLEAFSHFTKIITPAITRVVDFAKKLPMFCELPCEDQIILLKGCCMEIMSLRAAVRYDPESETLTLNGEMAVTRGQLKNGGLGVVSDAIFDLGMSLSSFNLDDTEVALLQAVLLMSSDRPGLACVERIEKYQDSFLLAFEHYINYRKHHVTHFWPKLLMKVTDLRMIGACHASRFLHMKVECPTELFPPLFLEVFED
Receptor file (based on 1BSX) :1BSX_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1BSX
Information :PDB HORMONE/GROWTH FACTOR 31-AUG-98 XXXX

Ligand:

Ligand pdb file :1BSX_T3_E_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :T3_E_5
Ligand Type:non-polymer
Ligand Weight:650.978
Ligand Info:3,5,3'TRIIODOTHYRONINE
Cofactor(s):
1BSX/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1BSX_T3_E_5_Into_1BSX_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):8.40 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):8.01 [pKd]
Docking affinity (XScore Software):10.98 [pKd]
Docking affinity (DSX-Score Software):5.67 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):8.3 [pKd]

Useful files:

Alignment file with ligand : complex.pir