Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTVAMSIMISTEEIQAKVKELGEQINSHYANSDKELVLIGLLRGSVIFMADLCRTITKPHELDFMTVSSYGGGTTSSRDVKILKDLDGEIRGKDVLVVEDIIDSGNTLSKVVEMLQTREPNSIQLCTLVCKPSRREIDLEVKFLGFEVEDKFIVGYGLDYDQKYRHLPFIGEIGL
1G9T Chain:A (5-179)MKHTVEVMIPEAEIKARIAELGRQITERYKDSGSDMVLVGLLRGSFMFMADLCREVQVSHEVDFMTAS---------RDLKILKDLDEDIRGKDVLIVEDIIDSGNTLSKVREILSLREPKSLAICTLLDKPSRREVNVPVEFIGFSIPDEFVVGYGIDYAQRYRHLPYIGKVIL
Receptor file (based on 1G9T) :1G9T_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1G9T
Information :PDB TRANSFERASE 28-NOV-00 XXXX

Ligand:

Ligand pdb file :1G9T_5GP_E_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :5GP_E_5
Ligand Type:non-polymer
Ligand Weight:363.223
Ligand Info:GUANOSINE-5'-MONOPHOSPHATE
Cofactor(s):
1G9T/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1G9T_5GP_E_5_Into_1G9T_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):3.43 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):4.32 [pKd]
Docking affinity (XScore Software):9.47 [pKd]
Docking affinity (DSX-Score Software):6.17 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.8 [pKd]

Useful files:

Alignment file with ligand : complex.pir