Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMPHPRRYHSSERGSRGSYREHYRSRKHKRRRSRSWSSSSDRTRRRRREDSYHVRSRSSYDDRSSDRRVYDRRYCGSYRRNDYSRDRGDAYYDTDYRHSYEYQRENSSYRSQRSSRRKHRRRRRRSRTFSRSSSQHSSRRAKSVEDDAEGHLIYHVGDWLQERYEIVSTLGEGTFGRVVQCVDHRRGGARVALKIIKNVEKYKEAARLEINVLEKINEKDPDNKNLCVQMFDWFDYHGHMCISFELLGLSTFDFLKDNNYLPYPIHQVRHMAFQLCQAVKFLHDNKLTHTDLKPENILFVNSDYELTYNLEKKRDERSVKSTAVRVVDFGSATFDHEHHSTIVSTRHYRAPEVILELGWSQPCDVWSIGCIIFEYYVGFTLFQTHDNREHLAMMERILGPIPSRMIRKTRKQKYFYRGRLDWDENTSAGRYVRENCKPLRRYLTSEAEEHHQLFDLIESMLEYEPAKRLTLGEALQHPFFARLRAEPPNKLWDSSRDISR
1Z57 Chain:A (3-336)-----------------------------------------------------------------------------------------------------------------------------------------------------HLICQSGDVLSARYEIVDTLGEGAFGKVVECIDHKAGGRHVAVKIVKNVDRYCEAARSEIQVLEHLNTTDPNSTFRCVQMLEWFEHHGHICIVFELLGLSTYDFIKENGFLPFRLDHIRKMAYQICKSVNFLHSNKLTHTDLKPENILFVQSDYTEAYN----RDERTLINPDIKVVDFGSATYDDEHHSTLVSTRHYRAPEVILALGWSQPCDVWSIGCILIEYYLGFTVFPTHDSKEHLAMMERILGPLPKHMIQKTRKRKYFHHDRLDWDEHSSAGRYVSRACKPLKEFMLSQDVEHERLFDLIQKMLEYDPAKRITLREALKHPFFDLLKK---------------
Receptor file (based on 1Z57) :1Z57_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1Z57
Information :PDB TRANSFERASE 17-MAR-05 XXXX

Ligand:

Ligand pdb file :1Z57_DBQ_A_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :DBQ_A_2
Ligand Type:non-polymer
Ligand Weight:245.240
Ligand Info:DEBROMOHYMENIALDISINE
Cofactor(s):
1Z57/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1Z57_DBQ_A_2_Into_1Z57_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-4.70 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-5.66 [pKa]
Docking affinity (XScore Software):-5.07 [pKa]
Docking affinity (DSX-Score Software):-6.33 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-5.4 [pKa]

Useful files:

Alignment file with ligand : complex.pir