Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMETVISSDSSPAVENEHPQETPESNNSVYTSFMKSHRCYDLIPTSSKLVVFDTSLQVKKAFFALVTNGVRAAPLWDSKKQSFVGMLTITDFINILHRYYKSALVQIYELEEHKIETWREVYLQDSFKPLVCISPNASLFDAVSSLIRNKIHRLPVIDPESGNTLYILTHKRILKFLKLFITEFPKPEFMSKSLEELQIGTYANIAMVRTTTPVYVALGIFVQHRVSALPVVDEKGRVVDIYSKFDVINLAAEKTYNNLDVSVTKALQHRSHYFEGVLKCYLHETLETIINRLVEAEVHRLVVVDENDVVKGIVSLSDILQALVLTGGEKKP
4QFR Chain:C (28-322)----------------------------YTTFMKSHRCYDLIPTSSKLVVFDTSLQVKKAFFALVTNGVRAAPLWDSKKQSFVGMLTITDFINILHRYYKSALVQIYELEEHKIETWREVYLQDSFKPLVCISPNASLFDAVSSLIRNKIHRLPVIDPESGNTLYILTHKRILKFLKLFIT----------SLEELQIGTYANIAMVRTTTPVYVALGIFVQHRVSALPVVDEKGRVVDIYSKFDVINLAAEKTYNNLDVSVTKALQHR------VLKCYLHETLEAIINRLVEAEVHRLVVVDEHDVVKGIVSLSDILQALV--------
Receptor file (based on 4QFR) :4QFR_CHAIN_C.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4QFR
Information :PDB SIGNALING PROTEIN/INHIBITOR/ACTIVATOR 21-MAY-14 XXXX

Ligand:

Ligand pdb file :4QFR_ADP_C_13.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADP_C_13
Ligand Type:non-polymer
Ligand Weight:427.203
Ligand Info:ADENOSINE-5'-DIPHOSPHATE
Cofactor(s):
4QFR/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4QFR_ADP_C_13_Into_4QFR_CHAIN_C.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):2.71 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):3.76 [pKd]
Docking affinity (XScore Software):10.89 [pKd]
Docking affinity (DSX-Score Software):6.00 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.8 [pKd]

Useful files:

Alignment file with ligand : complex.pir