Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKLSRIALATMLVAAPLAAANAGVTVTPLLLGYTFQDSQHNNGGKDGNLTNSPELQDDLFVGAALGIELTPWLGFEAEYNQVKGDVDGASAGAEYKQKQINGNFYVTSDLITKNYDSKIKPYVLLGAGHYKYDFDGVNRGTRGNSEEGTLGNAGVGAFWRLNDALSLRTEARATYNADEEFWNYTALAGLNVVLGGHLKPAAPVVVEVAPVEPTPVAPQPQELTEDLNMELRVFFDTNKSNIKDQYKPEIAKVAEKLSEYPNATARIEGHTDNTGPRKLNERLSLARANSVKSALVNEYNVDASRLSTQGFAWDQPIADNKTKEGRAMNRRVFATITGSRTVVVQPGQEAAAPAAAQ
3TD4 Chain:F (5-123)-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ELTEDLNMELRVFFDTNKSNIKDQYKPEIAKVAEKLSEYPNATARIEGHTDNTGPRKLNERLSLARANSVKSALVNEYNVDASRLSTQGFAWDQPIADNKTKEGRAMNRRVFATITGSR-----------------
Receptor file (based on 3TD4) :3TD4_CHAIN_F.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3TD4
Information :PDB MEMBRANE PROTEIN,PEPTIDE BINDING PROTEIN10-AUG-11 XXXX

Ligand:

Ligand pdb file :3TD4_API_F_14.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :API_F_14
Ligand Type:non-polymer
Ligand Weight:190.199
Ligand Info:2,6-DIAMINOPIMELIC ACID
Cofactor(s):
3TD4/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3TD4_API_F_14_Into_3TD4_CHAIN_F.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):1.17 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):1.63 [pKd]
Docking affinity (XScore Software):4.22 [pKd]
Docking affinity (DSX-Score Software):5.32 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir