Protein/Ligand Complex result page :


Receptor Model:

Query sequenceACEVGQLTVCMPAITTGAKPSDACCGNLRAQQACFCQYAKDPSLARYITSPHARETLVSCGLAVPHC
1N89 Chain:A (1-67)ACQASQLAVCASAILSGAKPSGECCGNLRAQQGCFCQYAKDPTYGQYIRSPHARDTLTSCGLAVPHC
Receptor file (based on 1N89) :1N89_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1N89
Information :PDB

Ligand:

Ligand pdb file :1N89_PGM_B_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :PGM_B_2
Ligand Type:non-polymer
Ligand Weight:483.558
Ligand Info:1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)]
Cofactor(s):
1N89/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1N89_PGM_B_2_Into_1N89_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-3.66 [pKd]
Docking affinity (Autodock Software):- [pKd]
Docking affinity (Plants Software):-10.40 [pKd]
Docking affinity (XScore Software):-5.07 [pKd]
Docking affinity (DSX-Score Software):-6.31 [pKd]
Docking affinity (RFScore Software):- [pKd]
Docking affinity (Atome):-6.4 [pKd]

Useful files:

Alignment file with ligand : complex.pir