Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
HDAC_TOXGM (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)
Classification code

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

Targets
for screening


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1A0A125YPH4_TOXGM102 65% 0.59 PF00850 C2_S1176 - (0)4 - / 19 / 60 25
2S8EP32_TOXGM108 56% 0.52 PF00850 C2_S1179 - (0)18 - / 3 / 69 3
3S8F6L4_TOXGM73 40% 0.44 PF00850 C4_S163 - (0)20 - / 9 / 51 2
4S8GBW3_TOXGM14 27% 0.35 PF00850 C6_S15 - (0)? - / - / 6 0
5S8GEI3_TOXGM17 40% 0.45 PF00850 C3_S16 - (0)1 - / 1 / 11 0

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