Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMNNQLIYTGKAKDIYSTKDENVIRTVYKDQATMLNGARKETIDGKGALNNQISSLIFEKLNMAGVVTHYIEQISKNEQLNKKVDIIPLEVVLRNVTAGSFSKRFGVEEGRVLETPIVEFYYKNDDLNDPFINDEHMKFLGIVNDEEIAYLKGETRRINELLKDWFAQIGLNLIDFKLEFGFDKDGKIILADEFSPDNCRLWDAEGNH-MDKDVFRRDLGSLTDVYQVVLEKLIAL
4O81 Chain:A (12-231)----------AKKMIPIDDDKLIME-FKDDATAFDGTKKARFKGKGWLNAQLSVIFFKLLEEHGIKTHFIGVAGGNRLIVEKLDMYPLEVVVRNVVAGSLKKRLPLPEGYELPEPIVELYYKNDELHDPMINYYHAKVLGISLD-EIKKIEEIALKVNEILKDYLAKKGIILVDFKLEFGKDKNGDIVLADEISPDTCRFWDAKTKRSLDKDVFRFDKGDLIEAYKEIYERITGE
Receptor file (based on 4O81) :4O81_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4O81
Information :PDB LIGASE 26-DEC-13 XXXX

Ligand:

Ligand pdb file :4O81_AMP_A_10.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :AMP_A_10
Ligand Type:non-polymer
Ligand Weight:347.224
Ligand Info:ADENOSINE MONOPHOSPHATE
Cofactor(s):
4O81/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4O81_AMP_A_10_Into_4O81_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-1.90 [pKa]
Docking affinity (XScore Software):-8.13 [pKa]
Docking affinity (DSX-Score Software):-4.84 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-5.0 [pKa]

Useful files:

Alignment file with ligand : complex.pir