Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMRVAVLSGAGISAESGVPTFRDDKNGLWARFDPYELSSTQGWLRNPERVWGWYLWRHYLVANVEPNDGHRAIAAW-----QDHAEVSVITQNVDDLHERAGSGAVHHLHGSLFEFRCARCG-------VPYTDAL-------PEMPEPAIEVEP-PVCD---CGGLIRPDIVWFGEPLPEEPWRSAVEATGSADVMVVVGTSAIVYPAAGLPDLALARGTAVIEVNPEPTPLSGSATISIRESASQALPGLLERLPALLK
4UTR Chain:A (26-275)--IAIITGAGVSAESGVPTFRG-PGGFWRKWQAQDLATPEAFSRDPSLVWEFYHYRREVMRSKMPNPAHLAIAECEARLGQQGRSVVIITQNIDELHHRAGSKHVYEIHGSLFKTRCMSCGEVKANHKSPICPALDGKGAPDPNTKEARIPVELLPRCERKSCNGLLRPHVVWFGETLDSDILTAVERELEKCDLCLVVGTSSIVYPAAMFAPQVASRGVPVAEFNMECTPATQ--KYHFEGPCGSTLPPALE-------
Receptor file (based on 4UTR) :4UTR_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4UTR
Information :PDB HYDROLASE 22-JUL-14 XXXX

Ligand:

Ligand pdb file :4UTR_GUA_C_11.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :GUA_C_11
Ligand Type:non-polymer
Ligand Weight:132.116
Ligand Info:GLUTARIC ACID
Cofactor(s):
4UTR/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4UTR_GUA_C_11_Into_4UTR_CHAIN_A.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):-1.36 [pKa]
Docking affinity (XScore Software):-3.63 [pKa]
Docking affinity (DSX-Score Software):-4.53 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.2 [pKa]

Useful files:

Alignment file with ligand : complex.pir