Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLAHYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGA--KIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS
2YVW Chain:A (11-423)-DYFVIRGGKPLTGKVKISGAKNAALPIMFATILTEEPCTITNVPDLLDVRNTLLLLRELGAELEFLNNTVFINPS-INSFITNQEIIRRMRASVLSLGPLLGRFGRAVVGLPGGCSIGARPIDQHLKFFKEAGADVEVREGYVYVNLKEK-RRVHFKFDLVTVTGTENALLYLASVPEESILENIALEPEVMDLIEVLKKMGAHVKVEG---RSAYVKGSENLKGFTHSVIPDRIEAGTFMVGAVLTDGEILLENARINHLRAVVEKLKLIGGEVVEENGNLRV-FRKESLRACDIETQVYPGFPTDMQAQFMALLSVAKGKSRIKENIFEHRFHHAQELNRLGANITVRGNTAYVEGVERLYGSEVYSTDLRASASLVLAGLVAQGETVVRDVYHLDRGYEKLEEKLKKLGADIERVS
Receptor file (based on 2YVW) :2YVW_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2YVW
Information :PDB TRANSFERASE 16-APR-07 XXXX

Ligand:

Ligand pdb file :2YVW_EPU_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :EPU_A_3
Ligand Type:non-polymer
Ligand Weight:677.405
Ligand Info:URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID
Cofactor(s):
2YVW/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2YVW_EPU_A_3_Into_2YVW_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):5.12 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):7.53 [pKd]
Docking affinity (XScore Software):8.03 [pKd]
Docking affinity (DSX-Score Software):8.12 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):7.2 [pKd]

Useful files:

Alignment file with ligand : complex.pir