Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTTSGHACPVPAVNGHMTHYPATPYPLLFPPVIGGLSLPPLHGLHGHPPPSGCSTPSPATIETQSTSSEELVPSPPSPLPPPRVYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMIYTCHRDKNCVINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKETSKQECTESYEMTAELDDLTEKIRKAHQETFPSLCQLGKYTTNSSADHRVRLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFTFANQLLPLEMDDTETGLLSAICLICGDRQDLEEPTKVDKLQEPLLEALKIYIRKRRPSKPHMFPKILMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLENSEGHEPLTPSSSGNTAEHSPSISPSSVENSGVSQSPLVQ
4DQM Chain:C (2-234)--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------EVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQDLEQPDRVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLE----------------------------------------
Receptor file (based on 4DQM) :4DQM_CHAIN_C.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4DQM
Information :PDB TRANSCRIPTION/TRANSFERASE 16-FEB-12 XXXX

Ligand:

Ligand pdb file :4DQM_LUF_C_6.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :LUF_C_6
Ligand Type:non-polymer
Ligand Weight:386.573
Ligand Info:(5S)-4-[(3E,7E)-4,8-DIMETHYL-10-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)DECA-3,7-DIEN-1-YL]-5-HYDROXYFURAN-2(5H)-ONE
Cofactor(s):
4DQM/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4DQM_LUF_C_6_Into_4DQM_CHAIN_C.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):Error [pKa]
Docking affinity (XScore Software):-7.52 [pKa]
Docking affinity (DSX-Score Software):-4.13 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-5.8 [pKa]

Useful files:

Alignment file with ligand : complex.pir