Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTQQAQTIQGSIVAIVTPMLKDGGVDWKSLEKLVEWHIEQGTNSIVAVGTTGEASTLSMEEHTQVIKEIIRVANKRIPIIAGTGANSTREAIELTKAAKDLGADAALLVTPYYNKPTQEGLYQHYKAIAEAVELPLILYNVPGRTGVDLSNDTAVRLAEIPNIVGIKDATGDVPRGKALIDALNGKMAVYSGDDETAWELMLLGADGNISVTANIAPKAMSEVCAVAIAKDEQQAKTLNNKIANLHNILFCESNPIPVKWALHEMGLIDTG-IRLPLTPLAEQYREPLRNALKDAGII
2ATS Chain:B (2-292)-------FTGSIVAIVTPMDEKGNVCRASLKKLIDYHVASGTSAIVSVGTTGESATLNHDEHADVVMMTLDLADGRIPVIAGTGANATAEAISLTQRFNDSGIVGCLTVTPYYNRPSQEGLYQHFKAIAEHTDLPQILYNVPSRTGCDLLPETVGRLAKVKNIIGIKEATGNLTRVNQIKELVSDDFVLLSGDDASALDFMQLGGHGVISVTANVAARDMAQMCKLAAEGHFAEARVINQRLMPLHNKLFVEPNPIPVKWACKELGLVATDTLRLPMTPITDSGRETVRAALKHAGLL
Receptor file (based on 2ATS) :2ATS_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2ATS
Information :PDB LYASE 26-AUG-05 XXXX

Ligand:

Ligand pdb file :2ATS_DLY_A_7.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :DLY_A_7
Ligand Type:non-polymer
Ligand Weight:146.189
Ligand Info:D-LYSINE
Cofactor(s):
2ATS/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2ATS_DLY_A_7_Into_2ATS_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):1.71 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):Error [pKd]
Docking affinity (XScore Software):4.87 [pKd]
Docking affinity (DSX-Score Software):5.51 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.0 [pKd]

Useful files:

Alignment file with ligand : complex.pir