Protein/Ligand Complex result page :


Receptor Model:

Query sequenceAVTCSDVTSAIAPCMSYATGQASSPSAGCCSGVRTLNGKASTSADRQAACRCLKNLAGSFNGISMGNAANIPGKCGVSVPFPINNNVNCNNLH
1FK5 Chain:A (1-93)AISCGQVASAIAPCISYARGQGSGPSAGCCSGVRSLNNAARTTADRRAACNCLKNAAAGVSGLNAGNAASIPSKCGVSIPYTISTSTDCSRVN
Receptor file (based on 1FK5) :1FK5_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1FK5
Information :PDB LIPID TRANSPORT 09-AUG-00 XXXX

Ligand:

Ligand pdb file :1FK5_OLA_A_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :OLA_A_2
Ligand Type:non-polymer
Ligand Weight:282.465
Ligand Info:OLEIC ACID
Cofactor(s):
1FK5/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1FK5_OLA_A_2_Into_1FK5_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-4.15 [pKd]
Docking affinity (Autodock Software):- [pKd]
Docking affinity (Plants Software):-6.17 [pKd]
Docking affinity (XScore Software):-5.65 [pKd]
Docking affinity (DSX-Score Software):-6.41 [pKd]
Docking affinity (RFScore Software):- [pKd]
Docking affinity (Atome):-5.6 [pKd]

Useful files:

Alignment file with ligand : complex.pir