Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMETVISSDSSPAVENEHPQETPESNNSVYTSFMKSHRCYDLIPTSSKLVVFDTSLQVKKAFFALVTNGVRAAPLWDSKKQSFVGMLTITDFINILHRYYKSALVQIYELEEHKIETWREVYLQDSFKPLVCISPNASLFDAVSSLIRNKIHRLPVIDPESGNTLYILTHKRILKFLKLFITEFPKPEFMSKSLEELQIGTYANIAMVRTTTPVYVALGIFVQHRVSALPVVDEKGRVVDIYSKFDVINLAAEKTYNNLDVSVTKALQHRSHYFEGVLKCYLHETLETIINRLVEAEVHRLVVVDENDVVKGIVSLSDILQALVLTGGEKKP
4QFS Chain:C (28-322)----------------------------YTTFMKSHRCYDLIPTSSKLVVFDTSLQVKKAFFALVTNGVRAAPLWDSKKQSFVGMLTITDFINILHRYYKSALVQIYELEEHKIETWREVYLQDSFKPLVCISPNASLFDAVSSLIRNKIHRLPVIDPESGNTLYILTHKRILKFLKLFIT----------SLEELQI------AMVRTTTPVYVALGIFVQHRVSALPVVDEKGRVVDIYSKFDVINLAAEKTYNNLDVSVTKALQHR-------LKCYLHETLEAIINRLVEAEVHRLV-----DVVKGIVSLSDILQALV--------
Receptor file (based on 4QFS) :4QFS_CHAIN_C.gz

Template (Experimental Origine of Ligand):

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

Ligand:

Ligand pdb file :4QFS_AMP_C_11.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :AMP_C_11
Ligand Type:non-polymer
Ligand Weight:347.224
Ligand Info:ADENOSINE MONOPHOSPHATE
Cofactor(s):
4QFS/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4QFS_AMP_C_11_Into_4QFS_CHAIN_C.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0.77 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):0.53 [pKd]
Docking affinity (XScore Software):8.74 [pKd]
Docking affinity (DSX-Score Software):5.34 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.8 [pKd]

Useful files:

Alignment file with ligand : complex.pir