Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
HDAC_TOXGG (2017 - Toxoplasma - Histone DeACetylases)

Download : Data.csv | 3D Common Core | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




Query Sequence
Filter:
Significants
SA found
Seq Ident. 3D Core
(QMean Score)
Modeller
(QMean Score)
Classification code

Binding Site Ligands Found
(Procognate)
Profile Complexes by comparative docking
(ligands from PDB templates)

Targets
for screening
Screening
(Multi Mol2 user file : ALL)




Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number] Nb
R (BestAtome)
1S7W8W1_TOXGG5 100% 0.52 0.50 PF00850 C2_S1178 - (0)5 - / - / 199 52 10 -
2S7UW66_TOXGG72 40% 0.49 0.43 PF00850 C4_S161 - (0)62 - / 10 / 1184 4--
3S7UUG9_TOXGG12 40% 0.46 -PF00850 C4_S112 - (0)19 - / 2 / 144 23 7 -
4A0A125YPH2_TOXGG102 100% 0.59 -PF00850 C2_S1181 - (0)38 - / 251 / 1889 0 10 -
5S7UZC5_TOXGG13 27% 0.32 -PF00850 C7_S15 - (0)? - / - / 225 0--

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