Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSYAVCRMQKVKSAGLKGMQFHNQRERKSRTNDDIDHERTRENYDLKN-DKNIDYNERVKEIIESQKTGTRKTRKDAVLVNELLVTSDRDFFEQLDPGEQKRFFEESYKLFSERYGKQNIAYATVHNDEQTPHMHLGVVPMRDGKLQGKNVFNRQELLWLQDKFPEHMKKQGFELKRGERGSDRKHIETAKFKKQTLEKEIDFLEKNLAVKKDEWTAYSDKVKSDLEVPAKRHMKSVEVPTGEKSMFGLGKEIMKTEKKPTKNVVISERDYKNLVTAARDNDRLKQHVRNLMSTDMAREYKKLSKEHGQVKEKYSGLVERFNENVNDYNELLEENKSLKSKISDLKRDVSLIYESTKEFLKERTDGLKAFKNVFKGFVDKVKDKTAQFQEKHDLEPKKNEFELTHNREVKKERSRDQGMSL
4LVL Chain:A (1-193)-SYMVARMQKMKAGNLGGAFKHNERVFETHSNKDINPSRSHLNYELTDRDRSVSYEKQIKDYVNENKVSNRAIRKDAVLCDEWIITSDKDFFEKLDEEQTRTFFETAKNYFAENYGESNIAYASVHLDESTPHMHMGVVPFENGKLSSKAMFDREELKHIQEDLPRYMSDHGFELERGKLNSEAKHKTVAEFKR-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Receptor file (based on 4LVL) :4LVL_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :4LVL
Information :PDB DNA BINDING PROTEIN/DNA 26-JUL-13 XXXX

Ligand:

Ligand pdb file :4LVL_NACID_C_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :NACID_C_3
Ligand Type:polymer
Ligand Weight:4768.149
Ligand Info:DNA (5'-D(*AP*TP*AP*AP*AP*GP*TP*AP*TP*AP*GP*TP*GP*TP*GP*(TS6))-3')
Cofactor(s):
4LVL/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4LVL_NACID_C_3_Into_4LVL_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-24.29 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-15.00 [pKa]
Docking affinity (XScore Software):-42.98 [pKa]
Docking affinity (DSX-Score Software):-18.93 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-25.3 [pKa]

Useful files:

Alignment file with ligand : complex.pir