Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSYAVCRMQKVKSAGLKGMQFHNQRERKSRTNDDIDHERTRENYDLKN-DKNIDYNERVKEIIESQKTGTRKTRKDAVLVNELLVTSDRDFFEQLDPGEQKRFFEESYKLFSERYGKQNIAYATVHNDEQTPHMHLGVVPMRDGKLQGKNVFNRQELLWLQDKFPEHMKKQGFELKRGERGSDRKHIETAKFKKQTLEKEIDFLEKNLAVKKDEWTAYSDKVKSDLEVPAKRHMKSVEVPTGEKSMFGLGKEIMKTEKKPTKNVVISERDYKNLVTAARDNDRLKQHVRNLMSTDMAREYKKLSKEHGQVKEKYSGLVERFNENVNDYNELLEENKSLKSKISDLKRDVSLIYESTKEFLKERTDGLKAFKNVFKGFVDKVKDKTAQFQEKHDLEPKKNEFELTHNREVKKERSRDQGMSL
4LVK Chain:A (1-193)-SYMVARMQKMKAGNLGGAFKHNERV----SNKDINPSRSHLNYELTDRDRSVSYEKQIKDYVNENKVSNRAIRKDAVLCDEWIITSDKDFFEKLDEEQTRTFFETAKNYFAENYGESNIAYASVHLDESTPHMHMGVVPFENGKLSSKAMFDREELKHIQEDLPRYMSDHGFELERGKLNSEAKHKTVAEFKR-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Receptor file (based on 4LVK) :4LVK_CHAIN_A.gz

Template (Experimental Origine of Ligand):

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

Ligand:

Ligand pdb file :4LVK_CHAIN_C_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :CHAIN_C_3
Ligand Type:polymer
Ligand Weight:4976.305
Ligand Info:ATAAAGTATAGTGTGpo oligonucleotide
Cofactor(s):
4LVK/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4LVK_CHAIN_C_3_Into_4LVK_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-23.82 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-15.00 [pKa]
Docking affinity (XScore Software):-41.07 [pKa]
Docking affinity (DSX-Score Software):-18.71 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-24.6 [pKa]

Useful files:

Alignment file with ligand : complex.pir