Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSVHIEAKEGEIADKILLPGDPLRAKYIAETFLEDPVCYNQVRGMLGFTGKYKGERISVQGTGMGMPSATIYAHELIQSYGVKKLIRVGTCGALSKDVHVRDLVLAQGAATSSSMIEKNFQAFHFPPISDFNLLLKAYEIAKEKGYTVHVGNVLSEDSFYKDDLTETFQLAE-LGVLGVEMEAAALYYLGAKYHVQTLSLMTVSDHLITGEETTAAERQSTFNEMIEVGLETAIAE
1PR0 Chain:C (5-234)---HINAEMGDFADVVLMPGDPLRAKYIAETFLEDAREVNNVRGMLGFTGTYKGRKISVMGHGMGIPSCSIYTKELITDFGVKKIIRVGSCGAVLPHVKLRDVVIGMGACTDSKVNRIRFKDHDFAAIADFDMVRNAVDAAKALGIDARVGNLFSADLFYSPD-GEMFDVMEKYGILGVEMEAAGIYGVAAEFGAKALTICTVSDHIRTHEQTTAAERQTTFNDMIKIALESVL--
Receptor file (based on 1PR0) :1PR0_CHAIN_C.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1PR0
Information :PDB TRANSFERASE 19-JUN-03 XXXX

Ligand:

Ligand pdb file :1PR0_NOS_Q_17.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :NOS_Q_17
Ligand Type:non-polymer
Ligand Weight:268.229
Ligand Info:INOSINE
Cofactor(s):
1PR0/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1PR0_NOS_Q_17_Into_1PR0_CHAIN_C.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):2.98 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):3.29 [pKd]
Docking affinity (XScore Software):8.16 [pKd]
Docking affinity (DSX-Score Software):6.23 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.2 [pKd]

Useful files:

Alignment file with ligand : complex.pir