Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMLKTFILIMNMENEKAHITKVKLPIFLDYQSTTKVDPRVLEMMIPYFS---EFSNAHSRSHSFGWAAEEVVEKARRHIADLVNADSKEIIFTSGATESNNMAIKGVAHFYKNKGDHIITVCTEHKCVLDSCRHLENEGFKVTYLPVKRNGIIDLSKLEEAITDRTILVSVMMVNNEIGVIQPVKEIGAICRRHNVFFHTDAAQSFGKVPVDVNGMNIDLMSLTSHKVYGPMGIGALYVRRKSPRVRLTPLISGGGQERGMRSGTVPTPLAVGFGEAARIAKEEMKKEASKLEELRDILYNKIKEAFPDVVLNGDYNNRIPGNLNLSFPYVEGESLIMAIKDLAVSSGSACTSASLEPSYVIRSLNSGYDLEHSSIRFGLGRFTTKDEILYAADLIAKNVGRLREMSPLWEMVQEGIDLNTVKWDSH
3LVK Chain:A (20-411)--------------------MKLPIYLDYSATTPVDPRVAEKMMQFMTMDGTFGNPASRSHRFGWQAEEAVDIARNQIADLVGADPREIVFTSGATESDNLAIKGAANFYQKKGKHIITSKTEHKAVLDTCRQLEREGFEVTYLAPQRNGIIDLKELEAAMRDDTILVSIMHVNNEIGVVQDIAAIGEMCRARGIIYHVDATQSVGKLPIDLSQLKVDLMSFSGHKIYGPKGIGALYVRRK-PRVRIEAQMHGGGHERGMRSGTLPVHQIVGMGEAYRIAKEEMATEMERLRGLRNRLWNGIKD-IEEVYLNGDLEHGAPNILNVSFNYVEGESLIMALKDLAVSSGSAC----LEPSYVLRALGLNDELAHSSIRFSLGRFTTEEEIDYTIELVRKSIGRLRDLSPLWEMYKQ------------
Receptor file (based on 3LVK) :3LVK_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3LVK
Information :PDB TRANSFERASE 22-FEB-10 XXXX

Ligand:

Ligand pdb file :3LVK_PLP_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :PLP_A_3
Ligand Type:non-polymer
Ligand Weight:247.144
Ligand Info:PYRIDOXAL-5'-PHOSPHATE
Cofactor(s):
3LVK/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3LVK_PLP_A_3_Into_3LVK_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-0.88 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-2.62 [pKa]
Docking affinity (XScore Software):-4.72 [pKa]
Docking affinity (DSX-Score Software):-4.92 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.3 [pKa]

Useful files:

Alignment file with ligand : complex.pir