Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKTKDAVAVVTGGASGLGLATTKRLLDAGAQVVVVDLRGDDV-------VGGLGDRARFAQADVTDEAAVSNALELA-DSLGPVRVVVNCAG-TGNAIRVLSRDGVF---PLAAFRKIVDINLVGTFNVLRLGAERIAKTEPIGEERGVIINTASVAAFDGQIGQAAYSASKGGVVGMTLPIARDLASKLIRVVTIAPGLFDTPLLASLPAEAKASLGQQVPHPSRLGNPDEYGALVLHIIENPMLNGEVIRLDGAIRMAPR
2CFC Chain:C (4-192)------VAIVTGASSGNGLAIATRFLARGDRVAALDLSAETLEETARTHWHAYADKVLRVRADVADEGDVNAAIAATMEQFGAIDVLVNNAGITGN-----SEAGVLHTTPVEQFDKVMAVNVRGIF----LGC-RAVLPHMLLQGAGVIVNIASVASLVAFPGRSAYTTSKGAVLQLTKSVAVDYAGSGIRCNAVCPGMIETPM---------------------------------------------------------
Receptor file (based on 2CFC) :2CFC_CHAIN_C.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2CFC
Information :PDB OXIDOREDUCTASE 19-FEB-06 XXXX

Ligand:

Ligand pdb file :2CFC_KPC_C_10.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :KPC_C_10
Ligand Type:non-polymer
Ligand Weight:198.252
Ligand Info:(2-[2-KETOPROPYLTHIO]ETHANESULFONATE
Cofactor(s):
2CFC/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2CFC_KPC_C_10_Into_2CFC_CHAIN_C.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):0 [pKa]
Docking affinity (XScore Software):-3.89 [pKa]
Docking affinity (DSX-Score Software):-3.74 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.8 [pKa]

Useful files:

Alignment file with ligand : complex.pir