Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSNATKFGKVAVLLGGKSAERAVSLDSGQAVLDALLRSGVQAEAFDPQDRSVTELVN--YDRAFIVLHGRGGEDGQIQGVLEWLNIPYTGTGVQGSAIGMDKVKTKQIWQGSDLPTAPYRIITKET-------DLDSVIAELGLPVIIKPVHEGSSVGMSKVEKAEDFAAAIEKATQHDAVVMAEKWITGREFTISFLNGQPLPVIRLQPPADVAFYDYEAKYQRNDVEYGIPCGLSETEEKKLQALCLRAFQAVGAEGWGRIDAMQDEQGNFWLLEVNTVPGMTSHSLVPKATKAVGYSFDELCVAILEQTLEGTA
5BPH Chain:B (4-302)--------KVAVLLGGTSAEREVSLLSGQAVLAGLKEAGIDAYGVDTKDFPVTQLKEQGFDKVFIALHGRGGEDGTLQGVLEFLQLPYTGSGVMASALTMDKLRTKLVWQALGLPISPYVALNRQQFETLSPEELVACVAKLGLPLIVKPSHEGSSVGMSKVDHASELQKALVEAFQHDSDVLIEKWLSGPEFTVAILGDEVLPSIRIQPPG--VFYDYDAKYLSDKTQYFCPSGLSDESEQQLAALALQAYHALDCSGWGRVDVMQDRDGHFYLLEVNTSPGMTSHSLVPMAARQYGLSFSQLVARIL--------
Receptor file (based on 5BPH) :5BPH_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :5BPH
Information :PDB LIGASE 28-MAY-15 XXXX

Ligand:

Ligand pdb file :5BPH_AMP_B_11.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :AMP_B_11
Ligand Type:non-polymer
Ligand Weight:347.221
Ligand Info:ADENOSINE MONOPHOSPHATE
Cofactor(s):
5BPH/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 5BPH_AMP_B_11_Into_5BPH_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):3.96 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):5.54 [pKd]
Docking affinity (XScore Software):10.25 [pKd]
Docking affinity (DSX-Score Software):6.69 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):6.6 [pKd]

Useful files:

Alignment file with ligand : complex.pir