Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSYAVCRMQKVKSAGLKGMQFHNQRERKSRTNDDIDHERTRENYDLKN-DKNIDYNERVKEIIESQKTGTRKTRKDAVLVNELLVTSDRDFFEQLDPGEQKRFFEESYKLFSERYGKQNIAYATVHNDEQTPHMHLGVVPMRDGKLQGKNVFNRQELLWLQDKFPEHMKKQGFELKRGERGSDRKHIETAKFKKQTLEKEIDFLEKNLAVKKDEWTAYSDKVKSDLEVPAKRHMKSVEVPTGEKSMFGLGKEIMKTEKKPTKNVVISERDYKNLVTAARDNDRLKQHVRNLMSTDMAREYKKLSKEHGQVKEKYSGLVERFNENVNDYNELLEENKSLKSKISDLKRDVSLIYESTKEFLKERTDGLKAFKNVFKGFVDKVKDKTAQFQEKHDLEPKKNEFELTHNREVKKERSRDQGMSL
4LVM Chain:A (1-193)-SYMVARMQKMKAGNLGGAFKHNERV------KDINPSRSHLNYELTDRDRSVSYEKQIKDYVNENKVSNRAIRKDAVLCDEWIITSDKDFFEKLDEEQTRTFFETAKNYFAENYGESNIAYASVHLDESTPHMHMGVVPFENGKLSSKAMFDREELKHIQEDLPRYMSDHGFELERGKLNSEAKHKTVAEFKR-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
Receptor file (based on 4LVM) :4LVM_CHAIN_A.gz

Template (Experimental Origine of Ligand):

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

Ligand:

Ligand pdb file :4LVM_CHAIN_E_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :CHAIN_E_3
Ligand Type:polymer
Ligand Weight:4976.305
Ligand Info:ATAAAGTATAGTGTGT oligonucleotide
Cofactor(s):
4LVM/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 4LVM_CHAIN_E_3_Into_4LVM_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-22.28 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-15.00 [pKa]
Docking affinity (XScore Software):-39.2 [pKa]
Docking affinity (DSX-Score Software):-17.88 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-23.6 [pKa]

Useful files:

Alignment file with ligand : complex.pir