Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSWDFETDPEFAQQLEWIDQFVRDEIEPVDLLVTNYGFDLSDPVRQALIPPLQQMVHERNLWACHLGPNLGGKGYGQVKLALMNEILGRS--QCAPIVFGCQAPDSGNAEILAHYGSERLKETYLRPLVAGEVVSCYSMTEPEGGSDPTQFRTSAVPDGDEWVINGTKWYSSHSRFASFIIVLAVTDPDAEPHRRMSMFVVPAD---------APGLETIRNVALFGHERHDGGHGYLRYNNVRVPADHLLG-KRGDGFVVSQTRLGGGRIHHAMRTVGLVRKALDMMCERVLSRYTQGERLADKQMVQEMLADSWTQLEQFRLLVLQTAWKIDKYDDYRKVRKDIAAVKATMPKVLNDVAGRALQLHGSLGTSDEMPFGDWIME-SYRMGLADGATEIHKITVAKQLLRGRTPAPGLFPTGHLPALRAAAEAKFADRLAAVRGSHGSSGPSAAVAPSTAAETPVTDDAPRPDDMPEIADVRPGEELDWDRLVTYLSTALGVAAGAWSVKQFPNGSANLTYLVHVNDELSVVVRRPPLGTIAAGAHDMSREHRVLSRLPNAYPRAPRSLLVCEDPSIIGAPFDVMEYRPGVVVWRSIPEVLQVGDNVGHRIGLAVADALADLHTVDPASCDLADLGRPVGFLERQMAGWQKRWAAVASEAEAALMEEAATRLGRNVPTNPVHSLLHNDYQLTNVQFAAGDPDRVYSVFDWDMATLGDPLADLGSLLNYWPDPSDTAQSAGLYLPEQATIGLPTRAEMAERYAARSGFGLDNLGWYEAFAAYRVTVILQQLAARYQRGESTDPRMAERAQLVHPMAVRALDLLDHHGVK
6ES9 Chain:A (166-551)-----GLDEDLEMIRDQFRRYAEERVIPNAHEWHLK--------DQLIPMEIIEELAELGVFGLTIPEEFGGLGLSKASMVVVTEELSRGYIGVGSLGT-RS---EIAAELILCGGTEAQKAKWLPGLASGEILSTAVFTEPNTGSDLGSLRTRAVRDGEDWVVTGNKTWITHAQRTHVMTLLARTDPETTDWRGLSMFLAEKEPGTDDDPFPTPGMTG-GEIEVLGYR--GMKEYELGFDGFRIKGENLLGGEPGRGFKQLMETFESARIQTAARAVGVAQSAAEIGMRYAVDRKQFGKSLIEFPRVADKLAMMAVEIMIARQLTYFSAWEKDHGR---RCDLEAGMAKLLGARVAWAAADNALQIHGGNGFALEYAI-SRVLCDARILNIFEGAAEIQAQVIARRLLD----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Receptor file (based on 6ES9) :6ES9_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :6ES9
Information :PDB FLAVOPROTEIN XXXX

Ligand:

Ligand pdb file :6ES9_FAD_A_6.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :FAD_A_6
Ligand Type:non-polymer
Ligand Weight:785.550
Ligand Info:FLAVIN-ADENINE DINUCLEOTIDE
Cofactor(s):
6ES9/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 6ES9_FAD_A_6_Into_6ES9_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):5.53 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):7.13 [pKd]
Docking affinity (XScore Software):12.06 [pKd]
Docking affinity (DSX-Score Software):7.42 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):8.0 [pKd]

Useful files:

Alignment file with ligand : complex.pir