Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMASPSSFTYYCPPSSSPVWSEPLYSLRPEHARERLQDDSVETVTSIEQAKVEEKIQEVFSSYKFNHLVPRLVLQREKHFHYLKRGLRQLTDAYECLDASRPWLCYWILHSLELLDEPIPQIVATDVCQFLELCQSPEGGFGGGPGQYPHLAPTYAAVNALCIIGTEEAYDIINREKLLQYLYSLKQPDGSFLMHVGGEVDVRSAYCAASVASLTNIITPDLFEGTAEWIARCQNWEGGIGGVPGMEAHGGYTFCGLAALVILKRERSLNLKSLLQWVTSRQMRFEGGFQGRCNKLVDGCYSFWQAGLLPLLHRALHAQGDPALSMSHWMFHQQALQEYILMCCQCPAGGLLDKPGKSRDFYHTCYCLSGLSIAQHFGSGAMLHDVVLGVPENALQPTHPVYNIGPDKVIQATTYFLQKPVPGFEELKDETSAEPATD
3EU5 Chain:B (22-425)---------------------PLYSLRPEHARERLQDDSVETVTSIEQAKVEEKIQEVFSSYKFNH---RLVLQREKHFHYLKRGLRQLTDAYECLDASRPWLCYWILHSLELLDEPIPQIVATDVCQFLELCQSPDGGFGGGPGQYPHLAPTYAAVNALCIIGTEEAYNVINREKLLQYLYSLKQPDGSFLMHVGGEVDVRSAYCAASVASLTNIITPDLFEGTAEWIARCQNWEGGIGGVPGMEAHGGYTFCGLAALVILKKERSLNLKSLLQWVTSRQMRFEGGFQGRCNKLVDGCYSFWQAGLLPLLHRALHAQGDPALSMSHWMFHQQALQEYILMCCQCPAGGLLDKPGKSRDFYHTCYCLSGLSIAQHFGSGAMLHDVVMGVPENVLQPTHPVYNIGPDKVIQATTHFLQKPVPGFEE------------
Receptor file (based on 3EU5) :3EU5_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3EU5
Information :PDB TRANSFERASE 09-OCT-08 XXXX

Ligand:

Ligand pdb file :3EU5_GBO_B_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :GBO_B_4
Ligand Type:non-polymer
Ligand Weight:555.519
Ligand Info:(2E,6E)-3,7-DIMETHYL-8-({5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOYL}AMINO)OCTA-2,6-DIEN-1-YL TRIHYDROGEN DIPHOSPHATE
Cofactor(s):
3EU5/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3EU5_GBO_B_4_Into_3EU5_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.17 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):8.55 [pKd]
Docking affinity (XScore Software):7.43 [pKd]
Docking affinity (DSX-Score Software):5.92 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):6.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir