Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSWDFETDPEFAQQLEWIDQFVRDEIEPVDLLVTNYG--FD-LSDPVRQALIPPLQQMV-HERNLWACHLGPNLGGKGYGQVKLALMNEILGRS--QCA--PIVFGCQAPDSGNAEILAHYGSERLKETYLRPLVAGEVVSCYSMTEPEG-GSDPTQFRTSAVPDGDEWVINGTKWYSSHSRF--ASFIIVLAVTDPD-AEPHRRMSMFVVPADAPGLETIRNVALFGHERHDG---GHGYLRYNNVRVPADHLLGKRGDGFVVSQTRLGGGRIHHAMRTVGLVRKALDMMCERVLSRYTQGERLADKQMVQEMLADSWTQLEQFRLLVLQTAWKIDKYDDYRKVRKDIAAVKATMPKVLNDVAGRALQLHGSLGTSDEMPFGDWIME-SYRMGLADGATEIHKITVAKQLLRGRTPAPGLFPTGHLPALRAAAEAKFADRLAAVRGSHGSSGPSAAVAPSTAAETPVTDDAPRPDDMPEIADVRPGEELDWDRLVTYLSTALGVAAGAWSVKQFPNGSANLTYLVHVNDELSVVVRRPPLGTIAAGAHDMSREHRVLSRLPNAYPRAPRSLLVCEDPSIIGAPFDVMEYRPGVVVWRSIPEVLQVGDNVGHRIGLAVADALADLHTVDPASCDLADLGRPVGFLERQMAGWQKRWAAVASEAEAALMEEAATRLGRNVPTNPVHSLLHNDYQLTNVQFAAGDPDRVYSVFDWDMATLGDPLADLGSLLNYWPDPSDTAQSAGLYLPEQATIGLPTRAEMAERYAARSGFGLDNLGWYEAFAAYRVTVILQQLAARYQRGESTDPRMAERAQLVHPMAVRALDLLDHHGVK
2WBI Chain:B (22-422)-----VQTRKGQEVLIKVKHFMKQHILPAEKEVTEFYVQNENSVDKWGKPLVIDKLKEMAKVEGLWNLFLPAVSGL---SHVDYALIAEETGKCFFAPDVFNCQA-PD---TGNMEVLHLYGSEEQKKQWLEPLLQGNITSCFCMTEPDVASSDATNIECSIQRDEDSYVINGKKWWSSGAGNPKCKIAIVLGRTQNTS-----QHSMILVPMNTPGVKIIRPLSVFGYT--DNFHGGHFEIHFNQVRVPATNLILGEGRGFEISQGRLGPGRIHHCMRTVGLAERALQIMCERATQRIAFKKKLYAHEVVAHWIAESRIAIEKIRLLTLKAAHSMDTLGSA-GAKKEIAMIKVAAPRAVSKIVDWAIQVCGGAGVSQDYPL-ANMYAITRVLRLADGPDEVHLSAIATMELRDQAK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Receptor file (based on 2WBI) :2WBI_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2WBI
Information :PDB OXIDOREDUCTASE 28-FEB-09 XXXX

Ligand:

Ligand pdb file :2WBI_FAD_B_10.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :FAD_B_10
Ligand Type:non-polymer
Ligand Weight:785.557
Ligand Info:FLAVIN-ADENINE DINUCLEOTIDE
Cofactor(s):
2WBI/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2WBI_FAD_B_10_Into_2WBI_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):3.40 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):6.55 [pKd]
Docking affinity (XScore Software):12.53 [pKd]
Docking affinity (DSX-Score Software):7.83 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):7.6 [pKd]

Useful files:

Alignment file with ligand : complex.pir