Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMESVALYSFQATESDELAFNKGDTLKILNMEDDQNWYKAELRGAEGFVPKNYIRVKPHPWYSGRISRQLAEETLMKRNHLGAFLIRESESSPGEFSVSVNYGDQVQHFKVLREASGKYFLWEEKFNSLNELVDFYRTTTIAKRRQIFLCDEQPLIKPSRACFAQAQFDFSAQDPSQLSLRRGDIVEVVEREDPHWWRGRAGGRLGFFPRSYVQPVHL
3IMD Chain:A (3-103)------------------------------------------------------MKPHPWFFGKIPRAKAEEMLSKQRHDGAFLIRESESAPGDFSLSVKFGNDVQHFKVLRDGAGKYFLWVVKFNSLNELVDYHRSTSVSRNQQIFLRDIEQV--P------------------------------------------------------------
Receptor file (based on 3IMD) :3IMD_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3IMD
Information :PDB SIGNALING PROTEIN/PEPTIDE 10-AUG-09 XXXX

Ligand:

Ligand pdb file :3IMD_FYQ_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :FYQ_A_3
Ligand Type:non-polymer
Ligand Weight:558.484
Ligand Info:N~2~-{(2R)-4-(METHYLAMINO)-4-OXO-2-[4-(PHOSPHONOOXY)BENZYL]BUTANOYL}-L-GLUTAMINYL-L-ASPARTAMIDE
Cofactor(s):
3IMD/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3IMD_FYQ_A_3_Into_3IMD_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):6.47 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):8.39 [pKd]
Docking affinity (XScore Software):6.52 [pKd]
Docking affinity (DSX-Score Software):7.13 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):7.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir