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
SC5AC_HUMAN
7
43%
0.254
PF00474
3 -
(0)
?
- / - / -
0
151
S22AO_HUMAN
8
43%
0.233
PF07690
2 -
(0)
?
- / - / -
0
152
S2544_HUMAN
5
36%
0.200
PF00153
25 -
(0)
?
- / - / -
0
153
CTL4_HUMAN
0
31%
0.185
PF07992
1 -
(1)
?
- / - / -
0
154
S12A2_HUMAN
7
34%
0.366
PF13520
4 -
(0)
?
- / - / -
0
155
HRG1_HUMAN
0
37%
0.111
PF00909
0 -
(0)
?
- / - / -
0
156
SPX3_HUMAN
12
28%
0.305
PF07690
2 -
(0)
?
- / - / -
0
157
ZNT5_HUMAN
8
36%
0.256
PF01545
1 -
(0)
?
- / - / -
0
158
SO2A1_HUMAN
8
19%
0.257
PF07690
0 -
(0)
?
- / - / -
0
159
GTR7_HUMAN
19
43%
0.377
PF00083
15 -
(0)
?
- / - / -
0
160
SL9A2_HUMAN
5
91%
0.286
PF00999
3 -
(0)
?
- / - / -
0
161
SO5A1_HUMAN
9
25%
0.194
PF07690
3 -
(0)
?
- / - / -
0
162
S35G3_HUMAN
1
39%
-0.232
PF00893
0 -
(0)
?
- / - / -
0
163
S15A1_HUMAN
17
32%
0.081
PF07690
21 -
(0)
?
- / - / -
0
164
MFRN1_HUMAN
6
29%
0.129
PF00153
15 -
(0)
?
- / - / -
0
165
S12A3_HUMAN
4
16%
0.466
PF00582
7 -
(0)
?
- / - / -
0
166
S2545_HUMAN
10
30%
0.128
PF00153
15 -
(0)
?
- / - / -
0
167
SL9A9_HUMAN
4
64%
0.281
PF00999
6 -
(0)
?
- / - / -
0
168
S2536_HUMAN
12
32%
0.211
PF00153
19 -
(0)
?
- / - / -
0
169
SPX2_HUMAN
13
30%
0.310
PF07690
4 -
(0)
?
- / - / -
0
170
AAA1_HUMAN
5
25%
0.289
PF13520
4 -
(0)
?
- / - / -
0
171
S35A4_HUMAN
1
33%
0.064
PF11628
0 -
(0)
?
- / - / -
0
172
S352B_HUMAN
0
27%
0.187
PF05639
3 -
(0)
?
- / - / -
0
173
S4A5_HUMAN
13
36%
0.414
PF00955
6 -
(0)
?
- / - / -
0
174
SO2B1_HUMAN
10
20%
0.223
PF07690
3 -
(0)
?
- / - / -
0
175
S35E3_HUMAN
0
43%
-0.038
PF02038
0 -
(0)
?
- / - / -
0
176
SL9A6_HUMAN
2
68%
0.371
PF00999
150 -
(0)
?
- / - / -
0
177
S40A1_HUMAN
10
25%
0.299
PF07690
4 -
(0)
?
- / - / -
0
178
CMC1_HUMAN
7
100%
0.597
PF13499
8 -
(0)
?
- / - / -
0
179
S52A1_HUMAN
1
33%
0.462
PF00014
0 -
(0)
?
- / - / -
0
180
S35A5_HUMAN
1
30%
0.062
PF03742
2 -
(0)
?
- / - / -
0
181
SC5A8_HUMAN
7
36%
0.287
PF00474
3 -
(0)
?
- / - / -
0
182
S43A3_HUMAN
10
52%
0.252
PF00069
7 -
(0)
?
- / - / -
0
183
S22AE_HUMAN
8
29%
0.334
PF07690
3 -
(0)
?
- / - / -
0
184
S22AB_HUMAN
5
43%
0.309
PF00083
12 -
(0)
?
- / - / -
0
185
LAT3_HUMAN
7
43%
0.195
PF07690
4 -
(0)
?
- / - / -
0
186
S4A10_HUMAN
15
60%
0.443
PF00955
3 -
(0)
?
- / - / -
0
187
S22AI_HUMAN
11
27%
0.292
PF07690
3 -
(0)
?
- / - / -
0
188
S29A4_HUMAN
0
30%
0.175
PF07690
4 -
(0)
?
- / - / -
0
189
S12A5_HUMAN
3
28%
0.309
PF13520
5 -
(0)
?
- / - / -
0
190
PCFT_HUMAN
12
33%
0.333
PF07690
4 -
(0)
?
- / - / -
0
191
S6A18_HUMAN
20
37%
0.395
PF13520
43 -
(0)
?
- / - / -
0
192
S6A19_HUMAN
19
50%
0.332
PF13520
64 -
(0)
?
- / - / -
0
193
S41A1_HUMAN
2
40%
0.324
PF03448
3 -
(0)
?
- / - / -
0
194
S6A17_HUMAN
20
46%
0.422
PF06596
79 -
(0)
?
- / - / -
0
195
NCKX2_HUMAN
3
26%
0.212
PF01699
9 -
(0)
?
- / - / -
0
196
NCKX6_HUMAN
3
40%
0.289
PF00180
14 -
(0)
?
- / - / -
0
197
S45A1_HUMAN
10
25%
0.133
PF07690
4 -
(0)
?
- / - / -
0
198
S12A4_HUMAN
5
30%
0.318
PF01168
8 -
(8)
?
- / - / -
0
199
S26A1_HUMAN
13
35%
0.290
PF01740
4 -
(0)
?
- / - / -
0
200
S39AC_HUMAN
0
35%
0.292
PF00061
6 -
(0)
?
- / - / -
0
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