Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSKIIGIDLGTTNSAVAVLEGNEAKIIANPEGNRTTPSVVSFKNGEIQVGEVAKRQAVTNPNTISSIKRHIGEAGYKVDVEGKSYTPQEISAMILQYIKGFAEDYLGEKVEKAVITVPAYFNDAQRQATKDAGKIAGLEVERIVNEPTAAALAYGLDKTDRDEKILVFDLGGGTFDVSILELGDGVFDVLSTAGDNHLGGDDFDNKIIDYMVAEFKKENSIDLSQDKMALQRLKDAAEKAKKDLSGVSSTQISLPFITAGESGPLHLEMTLTRAKFDELTADLVERTKVPVRQALKDAGLSQSEIDEVILVGGSTRIPAVVEAVRKETGKEPNKSVNPDEVVAMGAAIQGGVITGDVKDVVLLDVTPLSLGIETMGGVFTKLIDRNTTIPTSKSQVFSTAADNQPAVDIHVLQGERPMAADNKTLGRFQLTDIPAAPRGIPQIEVTFDIDKNGIVNVSAKDLGTQKEQKITIKSSSGLTDEEIERMVKDAEANAEADKARKEEVDLRNDVDALLFSVDKTLKELEGKVDEEEVKKAETARDELKAAVEANNIEEMKTKRDALNEIVQNLTVKLYEQAAQQQAQENPEAAQGGADDVVDADFEEVDGDDK
2V7Y Chain:A (1-504)MSKIIGIDLGTTNSCVAVLEGGEVKVIPNPEGNRTTPSVVAFKNGERLVGEVAKRQAITNPNTIISIKRHMG-TDYKVEIEGKQYTPQEISAIILQYLKSYAEDYLGEPVTRAVITVPAYFNDAQRQATKDAGRIAGLEVERIINEPTAAALAYGLDK-EEDQTILVYDLGGGTFDVSILELGDGVFEVKATAGDNHLGGDDFDQVIIDYLVNQFKQEHGIDLSKDKMALQRLKDAAEKAKKELSGVTQTQISLPFISANENGPLHLEMTLTRAKFEELSAHLVERTMGPVRQALQDAGLTPADIDKVILVGGSTRIPAVQEAIKRELGKEPHKGVNPDEVVAIGAAIQGGVIAGEVKDVVLLDVTPLSLGIETMGGVFTKLIERNTTIPTSKSQVFTTAADNQTTVDIHVLQGERPMAADNKSLGRFQLTGIPPAPRGVPQIEVTFDIDANGIVHVRAKDLGTNKEQSITIKSSSGLSEEEIQRMIKEAEENAEADRKRKEAAEL-------------------------------------------------------------------------------------------------------
Receptor file (based on 2V7Y) :2V7Y_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2V7Y
Information :PDB CHAPERONE 02-AUG-07 XXXX

Ligand:

Ligand pdb file :2V7Y_ADP_A_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADP_A_2
Ligand Type:non-polymer
Ligand Weight:427.203
Ligand Info:ADENOSINE-5'-DIPHOSPHATE
Cofactor(s):
2V7Y/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2V7Y_ADP_A_2_Into_2V7Y_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.30 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):10.67 [pKd]
Docking affinity (XScore Software):9.99 [pKd]
Docking affinity (DSX-Score Software):6.84 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):8.0 [pKd]

Useful files:

Alignment file with ligand : complex.pir