Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSTPTPPALDRDDPLGLDASLSSDEIAVRDTVRRFCAEHVTPHVAAWFEDGDLPVARDLAKQFGELGLLGMQL-HGHGCGGASAVHYGLACRELEAADSGIRSLVSVQGSLAMFAIASFGSDEQKRQWLPGMATGDLLGCFGLTEPDVGSDPAAMKTRARRDGPDWVITGGKMWITNGSVADVAIVWAATD---------DGIRGFIVPTDTPGFTANTIGHKLSLRASITSELVLDNVRLPADAML-PGATGLRAPLACLSEARYGIVWGAMGAARSAWQCALDYARQRTQFGRPIAGFQLTQAKLVDMAVELHKGQLLSLHLGRLKDRVGLRPDQVSFGKLNNTREALKICRTARTILGGNGISLEYPVIRHMVNLESVLTYEGTPEMHQLVLGQAFTGLAAFR
2D29 Chain:A (2-381)---------------GLWFEEGAEERQVLGPFREFLKAEVAPGAAERDRTGAFPW--DLVRKLAEFGVFGALVPEAYGGAGLSTRLFARMVEAIAYYDGALALTVASHNSLATGHILLAGSEAQKEAFLPKLASGEALGAWGLTEPGSGSDAAALKTKAEKVEGGWRLNGTKQFITQGSVAGVYVVMARTDPPPSPERKHQGISAFAFFRPERGLKVGRKEEKLGLTASDTAQLILEDLFVPEEALLGERGKGFYDVLRVLDGGRIGIAAMAVGLGQAALDYALAYAKGREAFGRPIAEFEGVSFKLAEAATELEAARLLYLKAAELKDAGRPFTLEAAQAKLFASEAAVKACDEAIQILGGYGYVKDYPVERYWRDARLTRIGEGTSEILKLVIAR---------
Receptor file (based on 2D29) :2D29_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2D29
Information :PDB OXIDOREDUCTASE 05-SEP-05 XXXX

Ligand:

Ligand pdb file :2D29_FAD_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :FAD_A_3
Ligand Type:non-polymer
Ligand Weight:785.557
Ligand Info:FLAVIN-ADENINE DINUCLEOTIDE
Cofactor(s):
2D29/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2D29_FAD_A_3_Into_2D29_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-6.04 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-7.98 [pKa]
Docking affinity (XScore Software):-13.7 [pKa]
Docking affinity (DSX-Score Software):-7.94 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-8.9 [pKa]

Useful files:

Alignment file with ligand : complex.pir