Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMIVLGLETSCDETGLALYDSELGLRGQVLYSQIKLHAEYGGVVPELASRDHVRKLIPLMNQLLEQSGVKKQEIDAVAYTRGPGLMGALMTGALFGRTLAFSLNKPAIGVHHMEGHMLAPLLSSQPPEFPFVALLVSGGHTQLMVVHGIGQYELLGESIDDAAGEAFDKVAKMMNLPYPGGPNIAKLALSGDPLAFEFPRPMLHQ-GLDFSFSGLKTAVSVQLKKLNG-ENRDADIAASFQEAIVDTLVKKSVKALKQTGLKRLVIAGGVSANLRLREQLETSLARIKAQVYYAEPALCTDNGAMIAFAGYQRLKAGQHDGLAVTTTPRWPMTELTIPE
3ZET Chain:B (1-334)MRVLGIETSCDETGIAIYDDKKGLLANQLYSQVKLHADYGGVVPELASRDHVRKTVPLIQAALKEAGLTASDIDAVAYTAGPGLVGALLVGATVGRSLAFAWNVPAIPVHHMEGHLLAPMLEDNPPEFPFVALLVSGGHTQLISVTGIGQYELLGESIDDAAGEAFDKTAKLLGLDYPGGPMLSKMASQGTAGRFVFPRPMTDRPGLDFSFSGLKTFAANTIRSNGGDEQTRADIARAFEDAVVDTLMIKCKRALESTGFKRLVMAGGVSANRTLRAKLAEMMQKRRGEVFYARPEFCTDNGAMIAYAGMVRFKAGVTADLGVTVRPRWPLAEL----
Receptor file (based on 3ZET) :3ZET_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :3ZET
Information :PDB HYDROLASE 07-DEC-12 XXXX

Ligand:

Ligand pdb file :3ZET_AMP_B_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :AMP_B_4
Ligand Type:non-polymer
Ligand Weight:347.224
Ligand Info:ADENOSINE MONOPHOSPHATE
Cofactor(s):
3ZET/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 3ZET_AMP_B_4_Into_3ZET_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.39 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):5.63 [pKd]
Docking affinity (XScore Software):8.72 [pKd]
Docking affinity (DSX-Score Software):7.11 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):6.5 [pKd]

Useful files:

Alignment file with ligand : complex.pir