Protein/Ligand Complex result page :


Receptor Model:

Query sequence-----------------MSWDFETDPEFAQQLEWIDQFVRDEIEPVDLLVTNYGFDLSDPVRQALIPPLQQMVHERNLWACHLGPNLGGKGYGQVKLALMNEILGRSQCAPIVFGCQAPDSGNAEILAHYGSERLKETYLRPLVAGEVVSCYSMTEPEGGSDPTQFRTSAV--PDGDEWVINGTKWYSSHSRFASFIIVLAVTDPDAEPHRRMSMFVVPADAPGLETIRNVALFGHERHDGGHGYLRYNNVRVPADHLLGKRGDGFVVSQTRLGGGRIHHAMRTVGLVRKALDMMCERVLSRYTQGERLADKQMVQEMLADSWTQLEQFRLLVLQTAWKIDKY-----------DDYRKVRKDIAAVKATMPKVLNDVAGRALQLHGSLGTSDEMPFGDWIMESYRMGLADGATEIHKITVAKQLLRGRTPAPGLFPTGHLPALRAAAEAKFADRLAAVRGSHGSSGPSAAVAPSTAAETPVTDDAPRPDDMPEIADVRPGEELDWDRLVTYLSTALGVAAGAWSVKQFPNGSANLTYLVHVNDELSVVVRRPPLGTIAAGAHDMSREHRVLSRLPNAYPRAPRSLLVCEDPSIIGAPFDVMEYRPGVVVWRSIPEVLQVGDNVGHRIGLAVADALADLHTVDPASCDLADLGRPVGFLERQMAGWQKRWAAVASEAEAALMEEAATRLGRNVPTNPVHSLLHNDYQLTNVQFAAGDPDRVYSVFDWDMATLGDPLADLGSLLNYWPDPSDTAQSAGLYLPEQATIGLPTRAEMAERYAARSGFGLDNLGWYEAFAAYRVTVILQQLAARYQRGESTDPRMAERAQLVHPMAVRALDLLDHHGVK
2Z1Q Chain:B (5-577)KKLWQKGGGWLLEVPERVYTPEDFDESVKEIARTTRTFVEREVLPLLERM--------EHGELELNVPLMRKAGELGLLAIDVPEEYGGLDLPKVISTVVAEELSGSGGFSVTYGAHTSIG--TLPLVYFGTEEQKRKYLPKLASGEWIAAYCLTEPGSGSDALAAKTRATLSEDGKHYILNGVKQWISNAGFAHLFTVFAKVD-----GEHFTAFLVERDTPGLSFGPEEKKMG--IKASSTRQVILEDVKVPVENVLGEIGKGHKIAFNVLNVGRYKLGAGAVGGAKRALELSAQYATQRVQFGRPIGRFGLIQQKLGEMASRIYAAESAVYRTVGLIDEALLGKKGPEAVMAGIEEYAVEASIIKVLGSEVLDYVVDEGVQIHGGYGYSQEYPIERAYRDARINRIFEGTNEINRLLIPGMLLR--RAEPEDLELHQVQNLKKLALMVAGLAVQKY-----------------------------------------GQGVEEE----------------------------------------------------------------------------------------------------------------------QEVLGAVADILIDAYAAESALLRARRLG-----------GLAPVLARIYLAQALDRAQAGALSVLPRLVEG---------------------------------DEARVVYSAARRLTKREPGD-----------------LVALRRQAAEAVLEAGGYPIPR---------------------------------------------------------
Receptor file (based on 2Z1Q) :2Z1Q_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2Z1Q
Information :PDB OXIDOREDUCTASE 11-MAY-07 XXXX

Ligand:

Ligand pdb file :2Z1Q_FAD_B_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :FAD_B_4
Ligand Type:non-polymer
Ligand Weight:785.557
Ligand Info:FLAVIN-ADENINE DINUCLEOTIDE
Cofactor(s):
2Z1Q/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2Z1Q_FAD_B_4_Into_2Z1Q_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):3.67 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):5.97 [pKd]
Docking affinity (XScore Software):11.66 [pKd]
Docking affinity (DSX-Score Software):6.76 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):7.0 [pKd]

Useful files:

Alignment file with ligand : complex.pir