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_B_2.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :NACID_B_2
Ligand Type:polymer
Ligand Weight:2087.427
Ligand Info:DNA (5'-D(*AP*CP*TP*TP*TP*AP*T)-3')
Cofactor(s):
4LVL/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4LVL_NACID_B_2_Into_4LVL_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-2.90 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-4.12 [pKa]
Docking affinity (XScore Software):-5.26 [pKa]
Docking affinity (DSX-Score Software):-6.48 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-4.7 [pKa]

Useful files:

Alignment file with ligand : complex.pir