Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKKVCFVCLGNICRSPMAEFVMANLDKEDSLS----VESRATSTWEHGNPIHRGTQAILQRYQIPYINDKGSQPISKDDLAYFDYIIGMDEQNVKDLKALSQ------------GTYDDKISLFCDGGVPDPWYT--GDFEETYRLVNDGCKQWLTLINNSRD
4Z9A Chain:A (13-160)-KSVLFVCLGNICRSPIAEAVFRKLVTDQNISENWRVDSAATSGYEIGNPPDYRGQSCMKRHGIPM--SHVARQITKEDFATFDYILCMDESNLRDLNRKSNQVKTCKAKIELLGSYDPQKQLI----IEDPYYGNDSDFETVYQQCVRCCRAFLEKAH----
Receptor file (based on 4Z9A) :4Z9A_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4Z9A
Information :PDB HYDROLASE 10-APR-15 XXXX

Ligand:

Ligand pdb file :4Z9A_PMS_A_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :PMS_A_5
Ligand Type:non-polymer
Ligand Weight:172.202
Ligand Info:phenylmethanesulfonic acid
Cofactor(s):
4Z9A/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4Z9A_PMS_A_5_Into_4Z9A_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-2.84 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-5.71 [pKa]
Docking affinity (XScore Software):-3.8 [pKa]
Docking affinity (DSX-Score Software):-5.61 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-4.5 [pKa]

Useful files:

Alignment file with ligand : complex.pir