Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTQQAQTIQGSIVAIVTPMLKDGGVDWKSLEKLVEWHIEQGTNSIVAVGTTGEASTLSMEEHTQVIKEIIRVANKRIPIIAGTGANSTREAIELTKAAKDLGADAALLVTPYYNKPTQEGLYQHYKAIAEAVELPLILYNVPGRTGVDLSNDTAVRLAEIPNIVGIKDATGDVPRGKALIDALNGKMAVYSGDDETAWELMLLGADGNISVTANIAPKAMSEVCAVAIAKDEQQAKTLNNKIANLHNILFCESNPIPVKWALHEMGLIDTG-IRLPLTPLAEQYREPLRNALKDAGII
1YXD Chain:A (2-292)-------FTGSIVAIVTPMDEKGNVCRASLKKLIDYHVASGTSAIVSVGTTGESATLNHDEHADVVMMTLDLADGRIPVIAGTGANATAEAISLTQRFNDSGIVGCLTVTPYYNRPSQEGLYQHFKAIAEHTDLPQILYNVPSRTGCDLLPETVGRLAKVKNIIGIKEATGNLTRVNQIKELVSDDFVLLSGDDASALDFMQLGGHGVISVTANVAARDMAQMCKLAAEGHFAEARVINQRLMPLHNKLFVEPNPIPVKWACKELGLVATDTLRLPMTPITDSGRETVRAALKHAGLL
Receptor file (based on 1YXD) :1YXD_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1YXD
Information :PDB LYASE 20-FEB-05 XXXX

Ligand:

Ligand pdb file :1YXD_LYS_B_7.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :LYS_B_7
Ligand Type:non-polymer
Ligand Weight:147.197
Ligand Info:LYSINE
Cofactor(s):
1YXD/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1YXD_LYS_B_7_Into_1YXD_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):1.14 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):Error [pKd]
Docking affinity (XScore Software):4.33 [pKd]
Docking affinity (DSX-Score Software):4.93 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir