Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
HDAC_LEIIN (2017 - Leishmania infantum - 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]
1LinJ08_V3_100039 37% 0.46 PF00850 C3_S147 - (0)20 - / 5 / 24 0
2LinJ08_V3_130018 38% 0.50 PF00850 C2_S115 - (0)2 - / - / 3 0
3LinJ21_V3_0740101 46% 0.54 PF00850 C2_S1215 - (0)17 - / 12 / 63 8
4LinJ24_V3_141096 40% 0.53 PF00850 C2_S1202 - (0)20 - / 7 / 65 4

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