Protein/Ligand Complex result page :


Receptor Model:

Query sequenceAITCGTVASSLSPCLGYLSKGGVVPPPCCAGVKKLNGMAQTTPDRQQACRCLQSAA---KGVNPSLASGLPGKCGVSIPYPISTSTNCATIK
2ALG Chain:A (1-92)MITCGQVSSSLAPCIPYVRGGGAVPPACCNGIRNVNNLARTTPDRQAACNCLKQLSASVPGVNPNNAAALPGKCGVSIPYKISASTNCATVK
Receptor file (based on 2ALG) :2ALG_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2ALG
Information :PDB LIPID TRANSPORT 05-AUG-05 XXXX

Ligand:

Ligand pdb file :2ALG_DAO_E_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :DAO_E_5
Ligand Type:non-polymer
Ligand Weight:200.320
Ligand Info:LAURIC ACID
Cofactor(s):
2ALG/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2ALG_DAO_E_5_Into_2ALG_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-1.96 [pKd]
Docking affinity (Autodock Software):- [pKd]
Docking affinity (Plants Software):-3.28 [pKd]
Docking affinity (XScore Software):-4.42 [pKd]
Docking affinity (DSX-Score Software):-5.24 [pKd]
Docking affinity (RFScore Software):- [pKd]
Docking affinity (Atome):-3.7 [pKd]

Useful files:

Alignment file with ligand : complex.pir