Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKLSRIALATMLVAAPLAAANAGVTVTPLLLGYTFQDSQHNNGGKDGNLTNSPELQDDLFVGAALGIELTPWLGFEAEYNQVKGDVDGASAGAEYKQKQINGNFYVTSDLITKNYDSKIKPYVLLGAGHYKYDFDGVNRGTRGNSEEGTLGNAGVGAFWRLNDALSLRTEARATYNADEEFWNYTALAGLNVVLGGHLKPAAPVVVEVAPVEPTPVAPQPQELTEDLNMELRVFFDTNKSNIKDQYKPEIAKVAEKLSEYPNATARIEGHTDNTGPRKLNERLSLARANSVKSALVNEYNVDASRLSTQGFAWDQPIADNKTKEGRAMNRRVFATITGSRTVVVQPGQEAAAPAAAQ
3TD3 Chain:E (5-123)-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELTEDLNMELRVFFDTNKSNIKDQYKPEIAKVAEKLSEYPNATARIEGHTDNTGPRKLNERLSLARANSVKSALVNEYNVDASRLSTQGFAWDQPIADNKTKEGRAMNRRVFATITGSR-----------------
Receptor file (based on 3TD3) :3TD3_CHAIN_E.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3TD3
Information :PDB MEMBRANE PROTEIN,PEPTIDE BINDING PROTEIN10-AUG-11 XXXX

Ligand:

Ligand pdb file :3TD3_GLY_E_13.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :GLY_E_13
Ligand Type:non-polymer
Ligand Weight:75.067
Ligand Info:GLYCINE
Cofactor(s):
3TD3/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3TD3_GLY_E_13_Into_3TD3_CHAIN_E.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):0.42 [pKd]
Docking affinity (XScore Software):4.57 [pKd]
Docking affinity (DSX-Score Software):4.42 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir