Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTKSKPIIIGVTGGSGSGKTSVSRAIFNNFPDHSIMMLEQDSYYKDQSHLSFEERLNTNYDHPFAFDNDLLIQHVGDLLNYKAIEKPVYDYVAHTRSQATIIQEPKEVIILEGILILEDERLRDLMDIKVYVDTDDDIRIIRRIKRDMEERGRTLDSVIEQYLTVVKPMYHQFIEPTKRYADIIVPEGGENHVAIDLITTKVASFLNHK
3ASZ Chain:B (4-207)---PKPFVIGIAGGTASGKTTLAQALARTLGE-RVALLPMDHYYKDLGHLPLEERLRVNYDHPDAFDLALYLEHAQALLRGLPVEMPVYDFRAYTRSPRRTPVRPAPVVILEGILVLYPKELRDLMDLKVFVDADADERFIRRLKRDVLERGRSLEGVVAQYLEQVKPMHLHFVEPTKRYADVIVPRGGQNPVALEMLAAKALARLAR-
Receptor file (based on 3ASZ) :3ASZ_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3ASZ
Information :PDB TRANSFERASE 22-DEC-10 XXXX

Ligand:

Ligand pdb file :3ASZ_C5P_B_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :C5P_B_4
Ligand Type:non-polymer
Ligand Weight:323.199
Ligand Info:CYTIDINE-5'-MONOPHOSPHATE
Cofactor(s):
3ASZ/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3ASZ_C5P_B_4_Into_3ASZ_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):2.93 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):7.55 [pKd]
Docking affinity (XScore Software):9.44 [pKd]
Docking affinity (DSX-Score Software):6.66 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):6.6 [pKd]

Useful files:

Alignment file with ligand : complex.pir