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 ]
Query
Structural Alignment (SA)
3D Modeling
Annotation
Ligands from PDB templates
Predicted Complexes
- pKd:[
‹nMol
|
‹μMol
|
‹mMol
]
Query Sequence
Filter:
Significants
SA found
Seq Ident.
3D Core
(QMean Score)
Classification code
Uniprot
Pfam
Prosite
Smart
Cath
ECNumber
Binding Site
Ligands Found
(Procognate)
Profile
Complexes by comparative docking
(ligands from PDB templates)
ALL
TSN - [nb=38] --> TRICHOSTATIN A
SHH - [nb=25] --> ..... HYDROXYAMIDE PHENYLAMIDE
B3N - [nb=24] --> .....NO)-7-OXOHEPTYL]BENZAMIDE
CHAIN - [nb=19] --> tetrapeptide substrate
TFG - [nb=9] --> .....PHEN-2-YL}ETHANE-1,1-DIOL
NU7 - [nb=6] --> .....-OXADIAZOL-3-YL]BENZAMIDE
FKS - [nb=6] --> .....trifluoroheptane-2,2-diol
9F4 - [nb=6] --> .....YCLOPROPANE-1-CARBOXAMIDE
OTF - [nb=6] --> .....YCLOPROPANE-1-CARBOXAMIDE
20Y - [nb=6] --> .....HEN-2-YL)PHENYL]BENZAMIDE
E1Z - [nb=5] --> S-TRICHOSTATIN A
HA3 - [nb=5] --> .....L]THIOPHENE-2-CARBOXAMIDE
5OG - [nb=4] --> Belinostat
L8G - [nb=4] --> .....18-TETRAENE-6,9,13-TRIONE
LBH - [nb=4] --> Panobinostat
5OJ - [nb=4] --> .....]-~{N}-oxidanyl-benzamide
IWX - [nb=3] --> .....-3-yl)oxane-4-carboxamide
AGE - [nb=3] --> .....YRROL-2-YL]PROP-2-ENAMIDE
V5X - [nb=3] --> .....-3-YL)ETHYL]OCTANEDIAMIDE
L7G - [nb=3] --> .....18-TETRAENE-6,9,13-TRIONE
XCH - [nb=3] --> Droxinostat
CF3 - [nb=3] --> .....-8-OXO-N-PHENYLNONANAMIDE
L6G - [nb=3] --> .....(19)-TRIENE-6,9,13-TRIONE
EDO - [nb=3] --> 1,2-ETHANEDIOL
LLX - [nb=3] --> .....NOBIPHENYL-3-YL)BENZAMIDE
3YP - [nb=3] --> .....NTYL-N-HYDROXYPROPANAMIDE
FMT - [nb=2] --> FORMIC ACID
7XA - [nb=2] --> .....mino-N-hydroxyheptanamide
S17 - [nb=2] --> .....TANOYL]-L-PHENYLALANINATE
NHB - [nb=2] --> .....]SULFONYL}AMINO)BENZAMIDE
GOL - [nb=2] --> GLYCEROL
N4R - [nb=2] --> NEXTURASTAT A
I0P - [nb=2] --> .....1,4,5,6 TETRAKISPHOSPHATE
5OK - [nb=2] --> Oxamflatin
NU9 - [nb=2] --> .....-OXADIAZOL-3-YL]BENZAMIDE
6XA - [nb=2] --> .....amino-N-hydroxyhexanamide
XS6 - [nb=2] --> .....mino]-N-hydroxyhexanamide
5YA - [nb=2] --> .....l-~{N}-oxidanyl-benzamide
6EZ - [nb=2] --> ......2.1]octane-3-carboxamide
MCM - [nb=1] --> .....NO-4-METHYL-CHROMEN-2-ONE
0DI - [nb=1] --> .....PERAZIN-1-YL]PROPAN-1-ONE
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1
A0A125YPH4_TOXGM
102
65%
0.59
PF00850
C2_S1
176 -
(0)
4
- /
19
/
60
25
2
S8EP32_TOXGM
108
56%
0.52
PF00850
C2_S1
179 -
(0)
18
- /
3
/
69
3
3
S8F6L4_TOXGM
73
40%
0.44
PF00850
C4_S1
63 -
(0)
20
- /
9
/
51
2
4
S8GBW3_TOXGM
14
27%
0.35
PF00850
C6_S1
5 -
(0)
?
- / - /
6
0
5
S8GEI3_TOXGM
17
40%
0.45
PF00850
C3_S1
6 -
(0)
1
- /
1
/
11
0
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