Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTTSGHACPVPAVNGHMTHYPATPYPLLFPPVIGGLSLPPLHGLHGHPPPSGCSTPSPATIETQSTSSEELVPSPPSPLPPPRVYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMIYTCHRDKNCVINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKETSKQECTESYEMTAELDDLTEKIRKAHQETFPSLCQLGKYTTNSSADHRVRLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFTFANQLLPLEMDDTETGLLSAICLICGDRQDLEEPTKVDKLQEPLLEALKIYIRKRRPSKPHMFPKILMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLENSEGHEPLTPSSSGNTAEHSPSISPSSVENSGVSQSPLVQ
1FCY Chain:A (3-236)-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PQLEELITKVSKAHQETFPSLCQLGKYTTNSSADHRVQLDLGLWDKFSELATKCIIKIVEFAKRLPGFTGLSIADQITLLKAACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFAGQLLPLEMDDTETGLLSAICLICGDRMDLEEPEKVDKLQEPLLEALRLYARRRRPSQPYMFPRMLMKITDLRGISTKGAERAITLKMEIPGPMPPLIREMLE----------------------------------------
Receptor file (based on 1FCY) :1FCY_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1FCY
Information :PDB GENE REGULATION 19-JUL-00 XXXX

Ligand:

Ligand pdb file :1FCY_LMU_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :LMU_A_3
Ligand Type:non-polymer
Ligand Weight:510.621
Ligand Info:DODECYL-ALPHA-D-MALTOSIDE
Cofactor(s):
1FCY/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1FCY_LMU_A_3_Into_1FCY_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-2.61 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-0.94 [pKa]
Docking affinity (XScore Software):-6.46 [pKa]
Docking affinity (DSX-Score Software):-5.69 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.9 [pKa]

Useful files:

Alignment file with ligand : complex.pir