Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKLVTAIVKPFKLDDVREALSDIGVQGITVTEVKGFGRQKGHTELYRGAEYVVDFLPKVKIEIAISDEMVDAVIESITRVASTGKIGDGKIFLTNLEQVIRIRTGETGPDAV
4CO4 Chain:C (1-108)MKLVMAIIKPFKLDEVREALTSLGIQGLTVSEVKGF------------------FLPKVKVEVAVSDDQYEQVVEAIQKAANTGRIGDGKIFVLDIAQAVRIRTGETN----
Receptor file (based on 4CO4) :4CO4_CHAIN_C.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4CO4
Information :PDB SIGNALING PROTEIN 25-JAN-14 XXXX

Ligand:

Ligand pdb file :4CO4_AMP_C_9.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :AMP_C_9
Ligand Type:non-polymer
Ligand Weight:347.224
Ligand Info:ADENOSINE MONOPHOSPHATE
Cofactor(s):
4CO4/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4CO4_AMP_C_9_Into_4CO4_CHAIN_C.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):1.37 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):2.65 [pKd]
Docking affinity (XScore Software):7.09 [pKd]
Docking affinity (DSX-Score Software):4.95 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):4.0 [pKd]

Useful files:

Alignment file with ligand : complex.pir