Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMIVLGLETSCDETGLALYDSELGLRGQVLYSQIKLHAEYGGVVPELASRDHVRKLIPLMNQLLEQSGVKKQEIDAVAYTRGPGLMGALMTGALFGRTLAFSLNKPAIGVHHMEGHMLAPLLSSQPPEFPFVALLVSGGHTQLMVVHGIGQYELLGESIDDAAGEAFDKVAKMMNLPYPGGPNIAKLALSGDPLAFEFPRPMLHQ-GLDFSFSGLKTAVSVQLKKLNG--ENRDADIAASFQEAIVDTLVKKSVKALKQTGLKRLVIAGGVSANLRLREQLETSLARIKAQVYYAEPALCTDNGAMIAFAGYQRLKAGQHDGLAVTTTPRWPMTELTIPE
4YDU Chain:A (1-334)MRVLGIETSCDETGIAIYDDEKGLLANQLYSQVKLHADYGGVVPELASRDHVRKTVPLIQAALKESGLTAKDIDAVAYTAGPGLVGALLVGATVGRSLAFAWDVPAIPVHHMEGHLLAPMLEDNPPEFPFVALLVSGGHTQLISVTGIGQYELLGESIDDAAGEAFDKTAKLLGLDYPGGPLLSKMAAQGTAGRFVFPRPMTDRPGLDFSFSGLKTFAANTIRD-NGTDDQTRADIARAFEDAVVDTLMIKCKRALDQTGFKRLVMAGGVSANRTLRAKLAEMMKKRRGEVFYARPEFCTDNGAMIAYAGMVRFKAGATADLGVSVRPRWPLAEL----
Receptor file (based on 4YDU) :4YDU_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4YDU
Information :PDB TRANSFERASE 23-FEB-15 XXXX

Ligand:

Ligand pdb file :4YDU_ADP_A_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADP_A_5
Ligand Type:non-polymer
Ligand Weight:427.201
Ligand Info:ADENOSINE-5'-DIPHOSPHATE
Cofactor(s):
4YDU/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4YDU_ADP_A_5_Into_4YDU_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):5.14 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):6.16 [pKd]
Docking affinity (XScore Software):9.76 [pKd]
Docking affinity (DSX-Score Software):7.29 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):7.1 [pKd]

Useful files:

Alignment file with ligand : complex.pir