Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMNNQLIYTGKAKDIYSTKDENVIRTVYKDQATMLNGARKETIDGKGALNNQISSLIFEKLNMAGVVTHYIEQISKNEQLNKKVDIIPLEVVLRNVTAGSFSKRFGVEEGRVLETPIVEFYYKNDDLNDPFINDEHMKFLGIVNDEEIAYLKGETRRINELLKDWFAQIGLNLIDFKLEFGFDKDGKIILADEFSPDNCRLWDAEGNH-MDKDVFRRDLGSLTDVYQVVLEKLIAL
4O7T Chain:A (12-231)----------AKKMIPIDDDKLIME-FKDDATAFDGTKKARFKGKGWLNAQLSVIFFKLLEEHGIKTHFIGVAGGNRLIVEKLDMYPLEVVVRNVVAGSLKKRLPLPEGYELPEPIVELYYKNDELHDPMINYYHAKVLGISLD-EIKKIEEIALKVNEILKDYLAKKGIILVDFKLEFGKDKNGDIVLADEISPDTCRFWDAKTKRSLDKDVFRFDKGDLIEAYKEIYERITGE
Receptor file (based on 4O7T) :4O7T_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4O7T
Information :PDB LIGASE 26-DEC-13 XXXX

Ligand:

Ligand pdb file :4O7T_ADP_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADP_A_3
Ligand Type:non-polymer
Ligand Weight:427.203
Ligand Info:ADENOSINE-5'-DIPHOSPHATE
Cofactor(s):
4O7T/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4O7T_ADP_A_3_Into_4O7T_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-2.37 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-3.55 [pKa]
Docking affinity (XScore Software):-9.17 [pKa]
Docking affinity (DSX-Score Software):-5.41 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-5.1 [pKa]

Useful files:

Alignment file with ligand : complex.pir