Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSLPKPNNQTTVVITGASSGIGVELARGLAGRGFPLMLVA-RRRERLDELADQLRQEHCVGVEVLPLDLADTQARAQLADRL--RSDAIAGLCNSAGFGTSGRFWELPFARESEEVVLNALALMELTHAALPGMVKRGAGAVLNIASIAGFQPIPYMAVYSATKAFVLTFSEAVQEELHGTGVSVTALCPGPVPTEWAEIASAERFSIPLAQVSPHDVAEAAIAGMLSGKRTVVPGIVPKFVSTSGRFAPRSLLLPAIRIGNRLRGGPSR
2ZTL Chain:B (8-190)------------VVTGSTSGIGLGIATALAAQGADIVLNGFGDAAEIEKVRAGLAAQHGVKVLYDGADLSKGEAVRGLVDNAVRQMGRIDILVNNAGIQHTALIEDFPTEKWDAILALNLSAVFHGTAAALPHMKKQGFGRIINIASAHGLVASANKSAYVAAKHGVVGFTKVTALETAGQGITANAICPGWVRT---------------------------------------------------------------------------
Receptor file (based on 2ZTL) :2ZTL_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :2ZTL
Information :PDB OXIDOREDUCTASE 07-OCT-08 XXXX

Ligand:

Ligand pdb file :2ZTL_3HL_B_9.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :3HL_B_9
Ligand Type:non-polymer
Ligand Weight:104.105
Ligand Info:(3S)-3-HYDROXYBUTANOIC ACID
Cofactor(s):
2ZTL/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 2ZTL_3HL_B_9_Into_2ZTL_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):0 [pKa]
Docking affinity (XScore Software):-3.59 [pKa]
Docking affinity (DSX-Score Software):-3.77 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-3.7 [pKa]

Useful files:

Alignment file with ligand : complex.pir