Protein/Ligand Complex result page :


Receptor Model:

Query sequenceAISCGQVNSALASCVSYAKGSGASPPGACCSGVRRLAGLARSTADKQAACRCIKSAAG---GLNPGKAASIPSKCGVSIPYSISASVDCSKIH
1BWO Chain:A (1-90)-IDCGHVDSLVRPCLSYVQGG-PGPSGQCCDGVKNLHNQARSQSDRQSACNCLKGIARGIHNLNEDNARSIPPKCGVNLPYTISLNIDCSRV-
Receptor file (based on 1BWO) :1BWO_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1BWO
Information :PDB LIPID TRANSFER PROTEIN 25-SEP-98 XXXX

Ligand:

Ligand pdb file :1BWO_LPC_A_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :LPC_A_4
Ligand Type:non-polymer
Ligand Weight:468.590
Ligand Info:[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE
Cofactor(s):
1BWO/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1BWO_LPC_A_4_Into_1BWO_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-3.27 [pKd]
Docking affinity (Autodock Software):- [pKd]
Docking affinity (Plants Software):-2.14 [pKd]
Docking affinity (XScore Software):-4.44 [pKd]
Docking affinity (DSX-Score Software):-5.15 [pKd]
Docking affinity (RFScore Software):- [pKd]
Docking affinity (Atome):-3.8 [pKd]

Useful files:

Alignment file with ligand : complex.pir