Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMGMKHSSRCLLLRRKMAENAVESTEVSSAPPQPPQPVIPAKPVQCVHHVSTQPSCPGRGKMSKLLNPEEMTSRDYYFDSYAHFGIHEEMLKDEVRTLTYRNSMYHNKHVFKDKVVLDVGSGTGILSMFAAKAGAKKVFGIECSSISDYSEKIIKANHLDNVITIFKGKVEEVELPVEKVDIIISEWMGYCLFYESMLNTVIFARDKWLKPGGLMFPDRAALYVVAIEDRQYKDFKIHWWENVYGFDMTCIRDVAMKEPLVDIVDPKQVVTNACLIKEVDIYTVKTEELSFTSAFCLQIQRNDYVHALVTYFNIEFTKCHKKMGFSTAPDAPYTHWKQTVFYLEDYLTVRRGEEIYGTISMKPNAKNVRDLDFTVDLDFKGQLCETSVSNDYKMR
1OR8 Chain:A (28-340)---------------------------------------------------------------------------------HFGIHEEMLKDEVRTLTYRNSMFHNRHLFKDKVVLDVGSGTGILCMFAAKAGARKVIGIECSSISDYAVKIVKANKLDHVVTIIKGKVEEVELPVEKVDIIISEWMGYCLFYESMLNTVLHARDKWLAPDGLIFPDRATLYVTAIEDRQYKDYKIHWWENVYGFDMSCIKDVAIKEPLVDVVDPKQLVTNACLIKEVDIYTVKVEDLTFTSPFCLQVKRNDYVHALVAYFNIEFTRCHKRTGFSTSPESPYTHWKQTVFYMEDYLTVKTGEEIFGTIGMRPNAKNNRDLDFTIDLDFKGQLCELSCSTDYRMR
Receptor file (based on 1OR8) :1OR8_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1OR8
Information :PDB TRANSFERASE 12-MAR-03 XXXX

Ligand:

Ligand pdb file :1OR8_CHAIN_C_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :CHAIN_C_3
Ligand Type:polymer
Ligand Weight:1672.802
Ligand Info:Substrate peptide
Cofactor(s):
1OR8/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1OR8_CHAIN_C_3_Into_1OR8_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-1.28 [pKd]
Docking affinity (Autodock Software):- [pKd]
Docking affinity (Plants Software):Error [pKd]
Docking affinity (XScore Software):-3.79 [pKd]
Docking affinity (DSX-Score Software):-4.66 [pKd]
Docking affinity (RFScore Software):- [pKd]
Docking affinity (Atome):-3.2 [pKd]

Useful files:

Alignment file with ligand : complex.pir