Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSNATKFGKVAVLLGGKSAERAVSLDSGQAVLDALLRSGVQAEAFDPQDRSVTELVN--YDRAFIVLHGRGGEDGQIQGVLEWLNIPYTGTGVQGSAIGMDKVKTKQIWQGSDLPTAPYRIITKET-------DLDSVIAELGLPVIIKPVHEGSSVGMSKVEKAEDFAAAIEKATQHDAVVMAEKWITGREFTISFLNGQPLPVIRLQPPADVAFYDYEAKYQRNDVEYGIPCGLSETEEKKLQALCLRAFQAVGAEGWGRIDAMQDEQGNFWLLEVNTVPGMTSHSLVPKATKAVGYSFDELCVAILEQTLEGTA
5BPF Chain:D (4-302)--------KVAVLLGGTSAEREVSLLSGQAVLAGLKEAGIDAYGVDTKDFPVTQLKEQGFDKVFIALHGRGGEDGTLQGVLEFLQLPYTGSGVMASALTMDKLRTKLVWQALGLPISPYVALNRQQFETLSPEELVACVAKLGLPLIVKPSH---SVGMSKVDHASELQKALVEAFQHDSDVLIEKWLSGPEFTVAILGDEVLPSIRIQPPG--VFY-------SDKTQYFCPSGLSDESEQQLAALALQAYHALDCSGWGRVDVMQDRDGHFYLLEVNTSPGMTSHSLVPMAARQYGLSFSQLVARIL--------
Receptor file (based on 5BPF) :5BPF_CHAIN_D.gz

Template (Experimental Origine of Ligand):

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

Ligand:

Ligand pdb file :5BPF_ADP_D_18.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADP_D_18
Ligand Type:non-polymer
Ligand Weight:427.201
Ligand Info:ADENOSINE-5'-DIPHOSPHATE
Cofactor(s):
5BPF/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 5BPF_ADP_D_18_Into_5BPF_CHAIN_D.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):1.16 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):4.75 [pKd]
Docking affinity (XScore Software):10.37 [pKd]
Docking affinity (DSX-Score Software):6.60 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.7 [pKd]

Useful files:

Alignment file with ligand : complex.pir