Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMKLVTAIVKPFKLDDVREALSDIGVQGITVTEVKGFGRQKGHTELYRGAEY-VVDFLPKVKIEIAISDEMVDAVIESITRVASTGKIGDGKIFLTNLEQVIRIRTGETGPDAV
4USI Chain:A (18-126)FFRIEAIFRPWRLPFVIDTLSKYGIRGLTNTPVKGVGVQGGS-------EFGPSNLVDKEKLDIVVSRAQVDAVVRLVAASAYTGEIGDGKIFVHPVAEVVRIRTAETG----
Receptor file (based on 4USI) :4USI_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4USI
Information :PDB SIGNALING PROTEIN 08-JUL-14 XXXX

Ligand:

Ligand pdb file :4USI_ATP_A_5.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ATP_A_5
Ligand Type:non-polymer
Ligand Weight:507.183
Ligand Info:ADENOSINE-5'-TRIPHOSPHATE
Cofactor(s):
4USI/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4USI_ATP_A_5_Into_4USI_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):5.04 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):7.90 [pKd]
Docking affinity (XScore Software):8.2 [pKd]
Docking affinity (DSX-Score Software):6.32 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):6.9 [pKd]

Useful files:

Alignment file with ligand : complex.pir