Protein/Ligand Complex result page :


Receptor Model:

Query sequenceMSGSTITPWVVGNWKMNPMRANANQLIEEFKQLLQQNQIADENCHVGVAP---VSIALTTVQAQLQDAARTVYTVAQDVSRVAGTGAYTGEVSAELLKDSQINFVLVGHSERRDIFGDNVEILKAKLQNALNAGMTVIYCVGESLEQREQGQAEQVVLQQICDIAPVVTAEQWQNQVVIAYEPIWAIGTGKTASPQDAQAMHAKIREGL-CQLTPA-GSNIAILYGGSVKAENAVELAACPDINGALVGGASLNAASFYQIVQAFAQSK
1SW3 Chain:B (7-246)--------FVGGNWKMNGDKKSLGELI----HTLNGAKLSADTEVVCGAPSIYLDFARQKLDAKIGVAAQNCYKVPK--------GAFTGEISPAMIKDIGAAWVILGHSERRHVFGESDELIGQKVAHALAEGLGVIACIGEKLDEREAGITEKVVFEQTKAIADNV--KDW-SKVVLAYEPVWAIGTGKVATPQQAQEVHEKLRGWLKSHVSDAVAQSTRIIYGGSVTGGNCKELASQHDVDGFLVGGASLK-PEFVDIINA-----
Receptor file (based on 1SW3) :1SW3_CHAIN_B.gz

Template (Experimental Origine of Ligand):

Experimental pdb file :
PDB ID :1SW3
Information :PDB ISOMERASE 30-MAR-04 XXXX

Ligand:

Ligand pdb file :1SW3_PGA_D_4.pdb.gz
New Coordinate Ligand pdb file :LIGAND.pdb
Ligand Name :PGA_D_4
Ligand Type:non-polymer
Ligand Weight:156.032
Ligand Info:SUGAR (2-PHOSPHOGLYCOLIC ACID)
Cofactor(s):
1SW3/Ligand Contacts:CBE

Model/Ligand Complex:

Model/Ligand complex pdb file : 1SW3_PGA_D_4_Into_1SW3_CHAIN_B.pdb.gz
RMSD of the binding site superimposition (Template/Receptor):0.000
Docking affinity (MedusaScore Software):0 [pKd]
Docking affinity (Autodock Software): [pKd]
Docking affinity (Plants Software):1.60 [pKd]
Docking affinity (XScore Software):5.16 [pKd]
Docking affinity (DSX-Score Software):4.85 [pKd]
Docking affinity (RFScore Software): [pKd]
Docking affinity (Atome):3.9 [pKd]

Useful files:

Alignment file with ligand : complex.pir