Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMIVLGLETSCDETGLALYDSELGLRGQVLYSQIKLHAEYGGVVPELASRDHVRKLIPLMNQLLEQSGVKKQEIDAVAYTRGPGLMGALMTGALFGRTLAFSLNKPAIGVHHMEGHMLAPLLSSQPPEFPFVALLVSGGHTQLMVVHGIGQYELLGESIDDAAGEAFDKVAKMMNLPYPGGPNIAKLALSGDPLAFEFPRPMLHQ-GLDFSFSGLKTAVSVQLKKLNG--ENRDADIAASFQEAIVDTLVKKSVKALKQTGLKRLVIAGGVSANLRLREQLETSLARIKAQVYYAEPALCTDNGAMIAFAGYQRLKAGQHDGLAVTTTPRWPMTELTIPE
4WQ4 Chain:A (1-334)MRVLGIETSCDATGIAIYDDEKGLLANQLYSQVKLHADYGGVVPELASRDHVRKTVPLIQAALKESGLTAKDIDAVAYTAGPGLVGALLVGATVGRSLAFAWDVPAIPVHHMEGHLLAPMLEDNPPEFPFVALLVSGGHTQLISVTGIGQYELLGESIDDAAGEAFDKTAKLLGLDYPGGPLLSKMAAQGTAGRFVFPRPMTDRPGLDFSFSGLKTFAANTIRD-NGTDDQTRADIARAFEDAVVDTLMIKCKRALDQTGFKRLVMAGGVSANRTLRAKLAEMMKKRRGEVFYARPEFCTDNGAMIAYAGMVRFKAGATADLGVSVRPRWPLAEL----
Receptor file (based on 4WQ4) :4WQ4_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4WQ4
Information :PDB TRANSFERASE 21-OCT-14 XXXX

Ligand:

Ligand pdb file :4WQ4_ATP_A_6.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ATP_A_6
Ligand Type:non-polymer
Ligand Weight:507.181
Ligand Info:ADENOSINE-5'-TRIPHOSPHATE
Cofactor(s):
4WQ4/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4WQ4_ATP_A_6_Into_4WQ4_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):3.67 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):4.55 [pKd]
Docking affinity (XScore Software):9.59 [pKd]
Docking affinity (DSX-Score Software):7.34 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):6.3 [pKd]

Useful files:

Alignment file with ligand : complex.pir