Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
HDAC_HUMAN (2017 - Homo sapiens - 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]
1HDAC4_HUMAN61 100% 0.54 PF00850 C4_S178 - (0)20 - / 12 / 37 29
2HDAC3_HUMAN118 100% 0.57 PF00850 C2_S1210 - (0)20 - / 20 / 79 26
3HDAC7_HUMAN135 100% 0.51 PF00850 C5_S1209 - (0)20 - / 14 / 83 25
4HDAC2_HUMAN84 100% 0.62 PF00850 C2_S1156 - (0)19 - / 4 / 46 12
5HDAC1_HUMAN83 100% 0.62 PF00850 C3_S1155 - (0)19 - / 2 / 46 12
6HDAC8_HUMAN102 100% 0.65 PF00850 C3_S1199 - (0)19 - / 11 / 65 35
7HDAC6_HUMAN51 100% 0.55 PF00850 C3_S154 - (0)20 - / 12 / 31 24
8HDAC5_HUMAN92 77% 0.54 PF00850 C4_S1139 - (0)20 - / 14 / 55 30
9HDAC9_HUMAN61 74% 0.51 PF00850 C6_S166 - (0)20 - / 9 / 37 29
10HDA10_HUMAN52 54% 0.58 PF00850 C3_S154 - (0)20 - / 9 / 32 21
11HDA11_HUMAN20 34% 0.39 PF00850 C5_S137 - (0)8 - / - / 6 0

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