Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKKVCFVCLGNICRSPMAEFVMANLDKEDSLS----VESRATSTWEHGNPIHRGTQAILQRYQIPYINDKGSQPISKDDLAYFDYIIGMDEQNVKDLKALSQ------------GTYDDKISLFCDGGVPDPWYT--GDFEETYRLVNDGCKQWLTLINNSRD
5PNT Chain:A (6-153)-KSVLFVCLGNICRSPIAEAVFRKLVTDQNISENWRVDSAATSGYEIGNPPDYRGQSCMKRHGIPM--SHVARQITKEDFATFDYILCMDESNLRDLNRKSNQVKTCKAKIELLGSYDPQKQLI----IEDPYYGNDSDFETVYQQCVRCCRAFLEKAH----
Receptor file (based on 5PNT) :5PNT_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :5PNT
Information :PDB HYDROLASE 29-APR-98 XXXX

Ligand:

Ligand pdb file :5PNT_MES_B_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :MES_B_2
Ligand Type:non-polymer
Ligand Weight:195.233
Ligand Info:2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Cofactor(s):
5PNT/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 5PNT_MES_B_2_Into_5PNT_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-2.45 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-4.79 [pKa]
Docking affinity (XScore Software):-1.92 [pKa]
Docking affinity (DSX-Score Software):-5.54 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.7 [pKa]

Useful files:

Alignment file with ligand : complex.pir