Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTNVLIEDLKWRGLIYQQTDEQGIEDLLNKEQVTLYCGADPTADSLHIGHLLPFLTLRRFQEHGHRPIVLIGGGTGMIGDPSGKSEERVLQTEEQVDKNIEGISKQMHNIFEFGTD-HGAVLVNNRDWLGQISLISFLRDYGKHVGVNYMLGKDSIQSRLEHGISYTEFTYTILQAIDFGHLNRELNCKIQVGGSDQWGNITSGIELMRRMYGQTDAYGLTIPLVTKSDGKKFGKSESGAVWLDAEKTSPYEFYQFWINQSDEDVIKFLKYFTFLGKEEIDRLEQSKNEAPHLREAQKTLAEEVTKFIHGEDALNDAIRISQALFSGDLKSLSAKELKDGFKDVPQVTLSNDTTNIVEVLIETGISPSKRQAREDVNNGAIYINGERQQDVNYALAPEDKIDGEFTIIRRGKKKYFMVNYQ
1TYA Chain:E (3-319)----LLAELQWRGLVNQTTDEDGLRKLLNEERVTLYCGFDPTADSLHIGHLAAILTMRRFQQAGHRPIALVGGATGLIGDPSGKKSERTLNAKETVEAWSARIKEQLGRFLDFEADGNPAKIKNNYDWIGPLDVITFLRDVGKHFSVNYMMAKESVQSRIETGISFTEFSYMMLQAYDFLRLYETEGCRLQIGGSDQWGNITAGLELIRKTKG--RAFGLTIPLVTKADGTKFGKTESGTIWLDKEKTSPYEFYQFWINTDDRDVIRYLKYFTFLSKEEIEALEQELREAPEKRAAQKTLAEEVTKLVHGEEALRQAIRIS----------------------------------------------------------------------------------------------------
Receptor file (based on 1TYA) :1TYA_CHAIN_E.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1TYA
Information :PDB LIGASE(SYNTHETASE) 06-JUL-92 XXXX

Ligand:

Ligand pdb file :1TYA_TYR_S_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :TYR_S_3
Ligand Type:non-polymer
Ligand Weight:181.191
Ligand Info:TYROSINE
Cofactor(s):
1TYA/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1TYA_TYR_S_3_Into_1TYA_CHAIN_E.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-1.21 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-2.85 [pKa]
Docking affinity (XScore Software):-3.29 [pKa]
Docking affinity (DSX-Score Software):-4.99 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.1 [pKa]

Useful files:

Alignment file with ligand : complex.pir