Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSVHIEAKEGEIADKILLPGDPLRAKYIAETFLEDPVCYNQVRGMLGFTGKYKGERISVQGTGMGMPSATIYAHELIQSYGVKKLIRVGTCGALSKDVHVRDLVLAQGAATSSSMIEKNFQAFHFPPISDFNLLLKAYEIAKEKGYTVHVGNVLSEDSFYKDDLTETFQLAELGVLGVEMEAAALYYLGAKYHVQTLSLMTVSDHLITGEETTAAERQSTFNEMIEVGLETAIAE
2AC7 Chain:B (2-232)-SVHIEAKQGEIAESILLPGDPLRAKYIAETFLEDVTCYNNVRGMLGFTGTYKGKRVSVQGTGMGVPSISIYVNELIQSYGVKNLIRVGTCGAIQKDVKVRDVIIAMTACTDSNMNRLTFPGFDFAPAANFDLLKKAYDAGTEKGLHVRVGNVLTADVFYRESMDMVKKLGDYGVLAVEMETTALYTLAAKYGVNALSVLTVSDHIF----------QTTFNEMIEIALDAA---
Receptor file (based on 2AC7) :2AC7_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2AC7
Information :PDB TRANSFERASE 18-JUL-05 XXXX

Ligand:

Ligand pdb file :2AC7_ADN_M_13.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADN_M_13
Ligand Type:non-polymer
Ligand Weight:267.244
Ligand Info:ADENOSINE
Cofactor(s):
2AC7/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2AC7_ADN_M_13_Into_2AC7_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):2.41 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):3.94 [pKd]
Docking affinity (XScore Software):8.06 [pKd]
Docking affinity (DSX-Score Software):6.08 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir