Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKLVTAIVKPFKLDDVREALSDIGVQGITVTEVKGFGRQKGHTELYRGAEYVVDFLPKVKIEIAISDEMVDAVIESITRVASTGKIGDGKIFLTNLEQVIRIRTGETGPDAV
4CNZ Chain:A (1-112)MKLVMAIIKPFKLDEVREALTSLGIQGLTVSEVKGFGRQKG------------SFLPKVKVEVAVSDDQYEQVVEAIQKAANTGRIGDGKIFVLDIAQAVRIRTGETNTEAL
Receptor file (based on 4CNZ) :4CNZ_CHAIN_A.gz

Template (Experimental Origine of Ligand):

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

Ligand:

Ligand pdb file :4CNZ_ADP_A_7.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADP_A_7
Ligand Type:non-polymer
Ligand Weight:427.203
Ligand Info:ADENOSINE-5'-DIPHOSPHATE
Cofactor(s):
4CNZ/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4CNZ_ADP_A_7_Into_4CNZ_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):4.35 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):4.95 [pKd]
Docking affinity (XScore Software):8.2 [pKd]
Docking affinity (DSX-Score Software):6.19 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):5.9 [pKd]

Useful files:

Alignment file with ligand : complex.pir