Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKNKTIILGGFTEMKKAKLFGLGAVALAAGLFLGACGNNGSTDSSGGKSSSDTTTAALITDTGGVDDRSFNQSAWEGLEKWGKDQGLSRGNDGFQYFQSSNESDYIPNIDQALNAGFKTIFGIGYKLKPAIQEQATNNTGTNFVIIDDVIDGLDNVVSATFKDNEASYLAGVAAAYTTE---TNVVGFIGGVKGEVIDRFDAGFKAGVDAGAKELGKEIKVLNQYAGDFSAPDKGRSIAQGMYAQNADIIFHASGGTGNGVFQEAKSLNESGDKKVWVIGVDRDQSDEGEYTLNGEKKNFTLTSTLKAVGTVVEDLAQKSADGKFPGGEHTVYGLKEDGVGLTE--GQLSDEAKKAVDEAKEKIISGDVKVPETPEEN
2FQX Chain:A (9-310)---------------------------------------------------------MVTDSGDIDDKSFNQQVWEGISRFAQEN-----NAKCKYVTASTDAEYVPSLSAFADENMGLVVACGSFLVEAVIETSARFPKQKFLVIDAVVQDRDNVVSAVFGQNEGSFLVGVAAALKAKEAGKSAVGFIVGMELGMMPLFEAGFEAGV----KAVDPDIQVVVEVANTFSDPQKGQALAAKLYDSGVNVIFQVAGGTGNGVIKEARDRRLNG-QDVWVIGVDRDQYMDGVY--DG-SKSVVLTSMVKRADVAAERISKMAYDGSFPGGQSIMFGLEDKAVGIPEENPNLSSAVMEKIRSFEEKIVSKEIVVP------
Receptor file (based on 2FQX) :2FQX_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2FQX
Information :PDB TRANSPORT PROTEIN 18-JAN-06 XXXX

Ligand:

Ligand pdb file :2FQX_GMP_A_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :GMP_A_2
Ligand Type:non-polymer
Ligand Weight:283.243
Ligand Info:GUANOSINE
Cofactor(s):
2FQX/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2FQX_GMP_A_2_Into_2FQX_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.55 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):7.79 [pKd]
Docking affinity (XScore Software):9.41 [pKd]
Docking affinity (DSX-Score Software):6.79 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):7.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir