Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMTENEQLFWNRVLELSRSQIAPAAYEFFVLEARLLKIEHQTAVITLDNIEMKKLFWEQNLGPVILTAGFEIFNAEITANYVSNDLHLQETSFSNYQQSSNEVNTLPIRKIDSNLKEKYTFANFVQGDENRWAVSASIAVADSPGTTYNPLFIWGGPGLGKTHLLNAIGNQVLRDNPNARVLYITAENFINEF-VSHIRLDSMEELKEK-FRNLDLLLIDDIQSLAKKTLGGTQEEFFNTFNALHTNDKQIVLTSDRNPNQLNDLEERLVTRFSWGLPVNITPPDFETRVAILTNKIQEYPYDFPQDTIEYLAGEFDSNVRELEGALKNISLVADFKHAKTITVDIAAEAIRARKNDGPIVTVIPIE-EIQIQVGKFYGVTVKEIKATKRTQDIVLARQVAMYLAREMTDNSLPKIGKEFGGRDHSTVLHAYNKIKNMVAQDDNLRIEIETIKNKIR----
1L8Q Chain:A (2-324)---------------------------------------------------------------------------------------------------------------DFLNPKYTLENFIVGEGNRLAYEVVKEALENLGSLYNPIFIYGSVGTGKTHLLQAAGNEAKKRGY--RVIYSSADDFAQ-AMVEHLKKGTINEFR-NMYKSVDLLLLDDVQFLSGK--ERTQIEFFHIFNTLYLLEKQIILASDRHPQKLDGVSDRLVSRFEGGILVEI-ELDNKTRFKIIKEKLKEFNLELRKEVIDYLLENT-KNVREIEGKIKLIKLKGFEGLERKERKERDKL------------------MQIVEFVANYYAVKVEDILSDKRNKRTSEARKIAMYLCRKVCSASLIEIARAFKRKDHTTVIHAIRSVEEE--KKRKFKHLVGFLEKQAFDKIC
Receptor file (based on 1L8Q) :1L8Q_CHAIN_A.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1L8Q
Information :PDB DNA BINDING PROTEIN 21-MAR-02 XXXX

Ligand:

Ligand pdb file :1L8Q_ADP_A_3.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADP_A_3
Ligand Type:non-polymer
Ligand Weight:427.203
Ligand Info:ADENOSINE-5'-DIPHOSPHATE
Cofactor(s):
1L8Q/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1L8Q_ADP_A_3_Into_1L8Q_CHAIN_A.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-5.53 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-9.65 [pKa]
Docking affinity (XScore Software):-11.37 [pKa]
Docking affinity (DSX-Score Software):-7.21 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-8.4 [pKa]

Useful files:

Alignment file with ligand : complex.pir