Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMFSLKALLPLALLLVSANQVAAKVHKAKIYKHELSDEMKEVTFEQHLAHLGQKYLTQFEKANPEVVFSREHPFFTEGGHDVPLTNYLNAQYYTDITLGTPPQNFKVILDTGSSNLWVPSNECGSLACFLHSKYDHEASSSYKANGTEFAIQYGTGSLEGYISQDTLSIGDLTIPKQDFAEATSEPGLTFAFGKFDGILGLGYDTISVDKVVPPFYNAIQQDLLDEKRFAFYLGDTSKDTENGGEATFGGIDESKFKGDITWLPVRRKAYWEVKFEGIGLGDEYAELESHGAAIDTGTSLITLPSGLAEMINAEIGAKKGWTGQYTLDCNTRDNLPDLIFNFNGYNFTIGPYDYTLEVSGSCISAITPMDFPEPVGPLAIVGDAFLRKYYSIYDLGNNAVGLAKAI
1FQ5 Chain:A (1-329)----------------------------------------------------------------------------GGHDVPLTNYLNAQYYTDITLGTPPQNFKVILDTGSSNLWVPSNECGSLACFLHSKYDHEASSSYKANGTEFAIQYGTGSLEGYISQDTLSIGDLTIPKQDFAEATSEPGLTFAFGKFDGILGLGYDTISVDKVVPPFYNAIQQDLLDEKRFAFYLGDTSKDTENGGEATFGGIDESKFKGDITWLPVRRKAYWEVKFEGIGLGDEYAELESHGAAIDTGTSLITLPSGLAEMINAEIGAKKGWTGQYTLDCNTRDNLPDLIFNFNGYNFTIGPYDYTLEVSGSCISAITPMDFPEPVGPLAIVGDAFLRKYYSIYDIGNNAVGLAKAI
Receptor file (based on 1FQ5) :1FQ5_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1FQ5
Information :PDB HYDROLASE 03-SEP-00 XXXX

Ligand:

Ligand pdb file :1FQ5_STA_G_7.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :STA_G_7
Ligand Type:non-polymer
Ligand Weight:175.227
Ligand Info:STATINE
Cofactor(s):
1FQ5/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1FQ5_STA_G_7_Into_1FQ5_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-2.14 [pKd]
Docking affinity (Autodock Software):- [pKd]
Docking affinity (Plants Software):-0.77 [pKd]
Docking affinity (XScore Software):-4.52 [pKd]
Docking affinity (DSX-Score Software):-5.29 [pKd]
Docking affinity (RFScore Software):- [pKd]
Docking affinity (Atome):-3.2 [pKd]

Useful files:

Alignment file with ligand : complex.pir