Protein/Ligand Complex result page :


Receptor Model:

Query sequenceQGSICRMTQDGLTACKPSVSGQSPLPPSPACCAAISKADLPCLCSFKNSALLPYLGIDPNMATQLPAKCNIVTSTHC
2RKN Chain:A (1-77)AIDLCGMSQDELNECKPAVSKENPTSPSQPCCTALQHADFACLCGYKNSPWLGSFGVDPELASALPKQCGLANAPTC
Receptor file (based on 2RKN) :2RKN_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2RKN
Information :PDB SIGNALING PROTEIN, LIPID TRANSPORT 17-OCT-07 XXXX

Ligand:

Ligand pdb file :2RKN_LP3_A_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :LP3_A_5
Ligand Type:non-polymer
Ligand Weight:524.697
Ligand Info:(7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE
Cofactor(s):
2RKN/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2RKN_LP3_A_5_Into_2RKN_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-0.26 [pKd]
Docking affinity (Autodock Software):- [pKd]
Docking affinity (Plants Software):-7.32 [pKd]
Docking affinity (XScore Software):-4.28 [pKd]
Docking affinity (DSX-Score Software):-5.41 [pKd]
Docking affinity (RFScore Software):- [pKd]
Docking affinity (Atome):-4.3 [pKd]

Useful files:

Alignment file with ligand : complex.pir