Protein/Ligand Complex result page :


Receptor Model:

Query sequenceAVTCSDVTSAIAPCMSYATGQASSPSAGCCSGVRTLNGKASTSADRQAACRCLKNLAGSFNGISMGNAANIPGKCGVSVPFPINNNVNCNNLH
2ALG Chain:A (1-92)MITCGQVSSSLAPCIPYVRGG-GAVPPACCNGIRNVNNLARTTPDRQAACNCLKQLSASVPGVNPNNAAALPGKCGVSIPYKISASTNCATVK
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_HP6_G_7.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :HP6_G_7
Ligand Type:non-polymer
Ligand Weight:100.203
Ligand Info:HEPTANE
Cofactor(s):
2ALG/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2ALG_HP6_G_7_Into_2ALG_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-0.73 [pKd]
Docking affinity (Autodock Software):- [pKd]
Docking affinity (Plants Software):0 [pKd]
Docking affinity (XScore Software):-4.37 [pKd]
Docking affinity (DSX-Score Software):-4.22 [pKd]
Docking affinity (RFScore Software):- [pKd]
Docking affinity (Atome):-3.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir