Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMNTAPFIAIEGPIGAGKTTLATMLSQKF-GFPMINEIVED---------NPYLDKFYDNIKEWSFQLEMFFLCHRYKQLEDTS---------DHFLKKGQPVIADYHIYKNVIFAERTLSPHQLEKYKKIYHLLTD---DLPKPNFIIYIKASLPTLLHRIEKRGRPFEKKIETSYLEQLISDYEVAIKQLQE-----ADPELTVLTVDGDSKDFVLNKSDFERIAAHVKELIV
1P5Z Chain:B (23-260)--RIKKISIEGNIAAGKSTFVNILKQLCEDWEVVPEPVARWCNVQSTNGGNVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFF-ERSVYSDRYIFASNLYESECMNETEWTIYQDWHDWMNNQFGQSLELDGIIYLQATPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQEVPILTLDVNE-DF---KDKYESLVEKVKEFL-
Receptor file (based on 1P5Z) :1P5Z_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1P5Z
Information :PDB TRANSFERASE 28-APR-03 XXXX

Ligand:

Ligand pdb file :1P5Z_ADP_B_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :ADP_B_4
Ligand Type:non-polymer
Ligand Weight:427.203
Ligand Info:ADENOSINE-5'-DIPHOSPHATE
Cofactor(s):
1P5Z/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1P5Z_ADP_B_4_Into_1P5Z_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):-5.02 [pKa]
Docking affinity (Autodock Software):- [pKa]
Docking affinity (Plants Software):-10.34 [pKa]
Docking affinity (XScore Software):-10.61 [pKa]
Docking affinity (DSX-Score Software):-6.96 [pKa]
Docking affinity (RFScore Software):- [pKa]
Docking affinity (Atome):-8.2 [pKa]

Useful files:

Alignment file with ligand : complex.pir