Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
SLC (Dec 2015)
Download :
Data.csv
|
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
ASP - [nb=131] --> ASPARTIC ACID
CDL - [nb=22] --> CARDIOLIPIN
TB1 - [nb=21] --> .....ENZYLOXY)-L-ASPARTIC ACID
42F - [nb=6] --> ......2.1]octane-2-carboxylate
42J - [nb=5] --> .....dichlorophenyl)ethanamine
BOG - [nb=5] --> SUGAR (B-OCTYLGLUCOSIDE)
B40 - [nb=5] --> .....yl-1-phenylpropan-2-amine
41U - [nb=5] --> nisoxetine
21B - [nb=4] --> NORTRIPTYLINE
42L - [nb=4] --> ......2.1]octane-2-carboxylate
41X - [nb=4] --> .....(phenyl)methyl]morpholine
LDP - [nb=4] --> L-DOPAMINE
ATP - [nb=4] --> ADENOSINE-5'-TRIPHOSPHATE
CM5 - [nb=3] --> .....1-PENTYL-BETA-D-MALTOSIDE
COC - [nb=3] --> COCAINE
N9S - [nb=3] --> .....osyl-beta-D-glucopyranose
1WE - [nb=3] --> .....S)-1-phenylpropan-2-amine
APC - [nb=2] --> .....HONIC ACID ADENOSYL ESTER
NAG - [nb=2] --> N-ACETYL-D-GLUCOSAMINE
MAL - [nb=2] --> MALTOSE
6BG - [nb=1] --> .....EOXY-BETA-D-GLUCOPYRANOSE
OLC - [nb=1] --> .....pyl (9Z)-octadec-9-enoate
37X - [nb=1] --> ..... Glucose Neopentyl Glycol
DMU - [nb=1] --> .....YL-BETA-D-MALTOPYRANOSIDE
Y01 - [nb=1] --> CHOLESTEROL HEMISUCCINATE
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
150
S17A4_HUMAN
9
32%
0.250
PF07690
3 -
(0)
?
- / - / -
0
151
S47A1_HUMAN
9
25%
0.228
PF03742
15 -
(0)
?
- / - / -
0
152
SC5A9_HUMAN
9
35%
0.298
PF00474
3 -
(0)
?
- / - / -
0
153
S26A8_HUMAN
9
37%
0.333
PF01740
1 -
(0)
?
- / - / -
0
154
SO1A2_HUMAN
9
16%
0.070
PF07690
2 -
(0)
?
- / - / -
0
155
S22AN_HUMAN
9
34%
0.273
PF07690
8 -
(0)
?
- / - / -
0
156
S19A1_HUMAN
9
25%
0.217
PF07690
2 -
(0)
?
- / - / -
0
157
SC5AA_HUMAN
9
50%
0.291
PF00474
2 -
(0)
?
- / - / -
0
158
SC5A4_HUMAN
9
28%
0.332
PF00474
2 -
(0)
?
- / - / -
0
159
TXTP_HUMAN
9
35%
0.187
PF00153
19 -
(0)
?
- / - / -
0
160
SO1B1_HUMAN
9
17%
0.144
PF07690
2 -
(0)
?
- / - / -
0
161
UT2_HUMAN
9
63%
0.480
PF03253
C2_S1
15 -
(0)
2
- /
1
/
2
1
162
MOT3_HUMAN
9
25%
0.252
PF01306
4 -
(0)
?
- / - / -
0
163
UT1_HUMAN
9
79%
0.499
PF03253
C3_S1
15 -
(0)
1
- / - /
2
0
164
NPT3_HUMAN
9
36%
0.211
PF07690
4 -
(0)
?
- / - / -
0
165
MOT8_HUMAN
9
24%
0.244
PF07690
12 -
(0)
?
- / - / -
0
166
SO5A1_HUMAN
9
25%
0.194
PF07690
3 -
(0)
?
- / - / -
0
167
SO6A1_HUMAN
9
15%
0.142
PF07690
2 -
(0)
?
- / - / -
0
168
S17A9_HUMAN
9
30%
0.264
PF07690
7 -
(0)
?
- / - / -
0
169
SO1B3_HUMAN
9
25%
0.266
PF07690
3 -
(0)
?
- / - / -
0
170
S22AO_HUMAN
8
43%
0.233
PF07690
2 -
(0)
?
- / - / -
0
171
VMAT1_HUMAN
8
35%
0.258
PF07690
6 -
(0)
?
- / - / -
0
172
NPT1_HUMAN
8
25%
0.219
PF07690
2 -
(0)
?
- / - / -
0
173
S22AE_HUMAN
8
29%
0.334
PF07690
3 -
(0)
?
- / - / -
0
174
S22AK_HUMAN
8
41%
0.267
PF00083
8 -
(0)
?
- / - / -
0
175
S2538_HUMAN
8
33%
0.133
PF00153
24 -
(0)
?
- / - / -
0
176
S26A4_HUMAN
8
36%
0.519
PF01740
3 -
(0)
?
- / - / -
0
177
ODC_HUMAN
8
36%
0.147
PF00153
23 -
(0)
?
- / - / -
0
178
CMC2_HUMAN
8
92%
0.596
PF13499
6 -
(0)
?
- / - / -
0
179
SC5A3_HUMAN
8
38%
0.356
PF00067
3 -
(0)
?
- / - / -
0
180
SO4A1_HUMAN
8
16%
0.061
PF07690
2 -
(0)
?
- / - / -
0
181
ZNT5_HUMAN
8
36%
0.256
PF01545
1 -
(0)
?
- / - / -
0
182
MOT7_HUMAN
8
39%
0.254
PF01306
5 -
(0)
?
- / - / -
0
183
S2535_HUMAN
8
36%
0.173
PF00153
18 -
(0)
?
- / - / -
0
184
ZNT9_HUMAN
8
100%
0.211
PF00615
3 -
(0)
?
- / - / -
0
185
SO2A1_HUMAN
8
19%
0.257
PF07690
0 -
(0)
?
- / - / -
0
186
S22A8_HUMAN
8
43%
0.333
PF00083
12 -
(2)
?
- / - / -
0
187
SO3A1_HUMAN
8
21%
0.105
PF07690
1 -
(0)
?
- / - / -
0
188
M2OM_HUMAN
7
35%
0.255
PF00153
27 -
(0)
?
- / - / -
0
189
S22AH_HUMAN
7
41%
0.243
PF00083
11 -
(0)
?
- / - / -
0
190
S22AG_HUMAN
7
36%
0.252
PF00083
11 -
(0)
?
- / - / -
0
191
PM34_HUMAN
7
36%
0.285
PF00153
21 -
(0)
?
- / - / -
0
192
ZNT10_HUMAN
7
31%
0.323
PF01545
0 -
(0)
?
- / - / -
0
193
NRAM2_HUMAN
7
38%
0.292
PF13520
2 -
(0)
?
- / - / -
0
194
ACATN_HUMAN
7
13%
0.276
PF07690
2 -
(0)
?
- / - / -
0
195
S15A4_HUMAN
7
50%
0.407
PF07690
20 -
(0)
?
- / - / -
0
196
S2547_HUMAN
7
43%
0.007
PF02932
29 -
(0)
?
- / - / -
0
197
LAT3_HUMAN
7
43%
0.195
PF07690
4 -
(0)
?
- / - / -
0
198
S2539_HUMAN
7
28%
0.188
PF00153
18 -
(0)
?
- / - / -
0
199
CMC1_HUMAN
7
100%
0.597
PF13499
8 -
(0)
?
- / - / -
0
200
S12A1_HUMAN
7
33%
0.336
PF13520
4 -
(0)
?
- / - / -
0
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