Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMLKSINHICFSVRNLNDSIHFYRDILLGKLLLTGKKTAYFELAGLWIALNEEKDIPRNEIHFSYTHIAFTIDDSEFKYWHQRLKDNNVNILEGRVRDIRDRQSIYFTDPDGHKLELHTGTLENRLNYYKEAKPHMTFYK
4JH3 Chain:B (1-138)MLNGINHLCFSVSNLEDSIEFYEKVLEGELLVRGRKLAYFNICGVWVALNEEIHIPRNEIYQSYTHIAFSVEQKDFESLLQRLEENDVHILKGRERDVRDCESIYFVDPDGHKFEFHSGTLQDRLNYYREDKPHMTFY-
Receptor file (based on 4JH3) :4JH3_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4JH3
Information :PDB TRANSFERASE 04-MAR-13 XXXX

Ligand:

Ligand pdb file :4JH3_FCN_B_11.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :FCN_B_11
Ligand Type:non-polymer
Ligand Weight:138.060
Ligand Info:FOSFOMYCIN
Cofactor(s):
4JH3/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4JH3_FCN_B_11_Into_4JH3_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-1.52 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-1.34 [pKa]
Docking affinity (XScore Software):-5.62 [pKa]
Docking affinity (DSX-Score Software):-4.07 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.1 [pKa]

Useful files:

Alignment file with ligand : complex.pir