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
S2553_HUMAN
5
35%
0.259
PF00153
16 -
(0)
?
- / - / -
0
151
SOAT_HUMAN
5
34%
0.261
PF03936
117 -
(0)
?
- / - / -
0
152
S35F1_HUMAN
0
35%
0.251
PF00171
1 -
(0)
?
- / - / -
0
153
S22A7_HUMAN
6
56%
0.245
PF00083
15 -
(0)
?
- / - / -
0
154
S35E3_HUMAN
0
43%
-0.038
PF02038
0 -
(0)
?
- / - / -
0
155
SL9A3_HUMAN
5
84%
0.294
PF00999
5 -
(0)
?
- / - / -
0
156
S47A2_HUMAN
5
26%
0.104
PF00556
17 -
(0)
?
- / - / -
0
157
NTCP7_HUMAN
1
45%
0.355
PF00005
11 -
(0)
?
- / - / -
0
158
SWET1_HUMAN
0
46%
0.344
PF10432
7 -
(6)
?
- / - / -
0
159
UCP5_HUMAN
11
38%
0.154
PF00153
25 -
(0)
?
- / - / -
0
160
PCFT_HUMAN
12
33%
0.333
PF07690
4 -
(0)
?
- / - / -
0
161
UCP4_HUMAN
13
35%
0.206
PF00153
17 -
(0)
?
- / - / -
0
162
S35G4_HUMAN
0
29%
0.115
PF02430
0 -
(0)
?
- / - / -
0
163
MOT6_HUMAN
10
30%
0.318
PF07690
16 -
(0)
?
- / - / -
0
164
ACATN_HUMAN
7
13%
0.276
PF07690
2 -
(0)
?
- / - / -
0
165
SL9A4_HUMAN
3
95%
0.244
PF00999
4 -
(0)
?
- / - / -
0
166
S15A5_HUMAN
10
22%
0.230
PF07690
6 -
(0)
?
- / - / -
0
167
S35E2_HUMAN
0
34%
0.235
PF03357
0 -
(0)
?
- / - / -
0
168
S22AN_HUMAN
9
34%
0.273
PF07690
8 -
(0)
?
- / - / -
0
169
SC5A3_HUMAN
8
38%
0.356
PF00067
3 -
(0)
?
- / - / -
0
170
GTR11_HUMAN
17
43%
0.383
PF00083
15 -
(0)
?
- / - / -
0
171
S13A3_HUMAN
1
36%
0.188
PF02774
2 -
(0)
?
- / - / -
0
172
S22A3_HUMAN
6
52%
0.248
PF00083
12 -
(0)
?
- / - / -
0
173
NTCP2_HUMAN
5
33%
0.224
PF01030
15 -
(0)
?
- / - / -
0
174
S2536_HUMAN
12
32%
0.211
PF00153
19 -
(0)
?
- / - / -
0
175
S36A2_HUMAN
4
21%
0.235
PF13520
1 -
(0)
?
- / - / -
0
176
MOT14_HUMAN
11
32%
0.252
PF07690
2 -
(0)
?
- / - / -
0
177
S39AC_HUMAN
0
35%
0.292
PF00061
6 -
(0)
?
- / - / -
0
178
S23A2_HUMAN
3
44%
0.328
PF05464
8 -
(0)
?
- / - / -
0
179
S2538_HUMAN
8
33%
0.133
PF00153
24 -
(0)
?
- / - / -
0
180
S35A2_HUMAN
0
34%
0.064
PF03742
4 -
(0)
?
- / - / -
0
181
S35D1_HUMAN
0
30%
0.087
PF02038
0 -
(0)
?
- / - / -
0
182
MFRN2_HUMAN
7
26%
0.183
PF00153
19 -
(0)
?
- / - / -
0
183
S27A2_HUMAN
20
24%
0.487
PF13193
46 -
(19)
?
- / - / -
0
184
S22AH_HUMAN
7
41%
0.243
PF00083
11 -
(0)
?
- / - / -
0
185
S7A14_HUMAN
4
36%
0.329
PF13520
4 -
(0)
?
- / - / -
0
186
YLAT2_HUMAN
5
26%
0.286
PF13520
5 -
(0)
?
- / - / -
0
187
SC5A1_HUMAN
6
34%
0.333
PF00474
2 -
(0)
?
- / - / -
0
188
S2542_HUMAN
11
34%
0.187
PF00153
23 -
(0)
?
- / - / -
0
189
ZNT8_HUMAN
6
29%
0.269
PF01545
1 -
(0)
?
- / - / -
0
190
S39A4_HUMAN
0
39%
0.328
PF01405
2 -
(1)
?
- / - / -
0
191
S12A3_HUMAN
4
16%
0.466
PF00582
7 -
(0)
?
- / - / -
0
192
S26A6_HUMAN
10
36%
0.395
PF01867
14 -
(0)
?
- / - / -
0
193
S35G3_HUMAN
1
39%
-0.232
PF00893
0 -
(0)
?
- / - / -
0
194
M2OM_HUMAN
7
35%
0.255
PF00153
27 -
(0)
?
- / - / -
0
195
S22A1_HUMAN
4
27%
0.304
PF00083
12 -
(0)
?
- / - / -
0
196
MOT13_HUMAN
10
31%
0.296
PF07690
6 -
(0)
?
- / - / -
0
197
SO6A1_HUMAN
9
15%
0.142
PF07690
2 -
(0)
?
- / - / -
0
198
S22AF_HUMAN
6
50%
0.226
PF07690
12 -
(0)
?
- / - / -
0
199
COPT1_HUMAN
6
100%
0.071
PF00737
0 -
(0)
?
- / - / -
0
200
GHC2_HUMAN
14
36%
0.172
PF00153
25 -
(0)
?
- / - / -
0
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