Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSTPTPPALDRDDPLGLDASLSSDEIAVRDTVRRFCAEHVTPHVAAWFEDGDLPVARDLAKQFGELGLLGMQLHGHGCGGASAVHYGLACRELEAADSGIRSLVSVQGSLAMFAIASFGSDEQKRQWLPGMATGDLLGCFGLTEPDVGSDPAAMKTRARRDGPD--WVITGGKMWITNGSVADVAIVWAATDDG-IRGFIVPTDTPGFTANTIGHKLSLRASITSELVLDNVRLPADAMLPGATGLRAPLACLSEARYGIVWGAMGAARSAWQCALDYARQRTQFGRPIAGFQLTQAKLVDMAVELHKGQLLSLHLGRLKDRVGLRPDQVSFGKLNNTREALKICRTARTILGGNGISLEYPVIRHMVNLESVLTYEGTPEMHQLVLGQAFTGLAAFR
2R0N Chain:A (3-390)-------EFDWQDPLVLEEQLTTDEILIRDTFRTYCQERLMPRI--LLANRNEVFHREIISEMGELGVLGPTIKGYGCAGVSSVAYGLLARELERVDSGYRSAMSVQSSLVMHPIYAYGSEEQRQKYLPQLAKGELLGCFGLTEPNSGSDPSSMETRAHYNSSNKSYTLNGTKTWITNSPMADLFVVWARCEDGCIRGFLLEKGMRGLSAPRIQGKFSLRASATGMIIMDGVEVPEENVLPGASSLGGPFGCLNNARYGIAWGVLGASEFCLHTARQYALDRMQFGVPLARNQLIQKKLADMLTEITLGLHACLQLGRLKDQDKAAPEMVSLLKRNNCGKALDIARQARDMLGGNGISDEYHVIRHAMNLEAVNTYEGTHDIHALILGRAITGIQAF-
Receptor file (based on 2R0N) :2R0N_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2R0N
Information :PDB OXIDOREDUCTASE 20-AUG-07 XXXX

Ligand:

Ligand pdb file :2R0N_TGC_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :TGC_A_3
Ligand Type:non-polymer
Ligand Weight:899.668
Ligand Info:3-THIAGLUTARYL-COA
Cofactor(s):
2R0N/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2R0N_TGC_A_3_Into_2R0N_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-1.00 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-7.56 [pKa]
Docking affinity (XScore Software):-5.88 [pKa]
Docking affinity (DSX-Score Software):-7.58 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-5.5 [pKa]

Useful files:

Alignment file with ligand : complex.pir