Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMLKSINHICFSVRNLNDSIHFYRDILLGKLLLTGKKTAYFELAGLWIALNEEKDIPRNEIHFSYTHIAFTIDDSEFKYWHQRLKDNNVNILEGRVRDIRDRQSIYFTDPDGHKLELHTGTLENRLNYYKEAKPHMTFYK
4JD1 Chain:A (2-139)MLQGINHICFSVSNLEKSIEFYQKILQAKLLVKGRKLAYFDLNGLWIALNVEEDIPRNEIKQSYTHMAFTVTNEALDHLKEVLIQNDVNILPGRERDERDQRSLYFTDPDGHKFEFHTGTLQNRLEYYKEDKKHMTFY-
Receptor file (based on 4JD1) :4JD1_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4JD1
Information :PDB TRANSFERASE 22-FEB-13 XXXX

Ligand:

Ligand pdb file :4JD1_FCN_A_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :FCN_A_4
Ligand Type:non-polymer
Ligand Weight:138.060
Ligand Info:FOSFOMYCIN
Cofactor(s):
4JD1/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4JD1_FCN_A_4_Into_4JD1_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-1.46 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-1.31 [pKa]
Docking affinity (XScore Software):-5.55 [pKa]
Docking affinity (DSX-Score Software):-3.95 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.1 [pKa]

Useful files:

Alignment file with ligand : complex.pir