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
S22A6_HUMAN
6
43%
0.297
PF00083
15 -
(0)
?
- / - / -
0
151
S22A7_HUMAN
6
56%
0.245
PF00083
15 -
(0)
?
- / - / -
0
152
S22A8_HUMAN
8
43%
0.333
PF00083
12 -
(2)
?
- / - / -
0
153
S22A9_HUMAN
7
43%
0.319
PF00083
12 -
(0)
?
- / - / -
0
154
S22AA_HUMAN
3
36%
0.342
PF00083
15 -
(0)
?
- / - / -
0
155
S22AB_HUMAN
5
43%
0.309
PF00083
12 -
(0)
?
- / - / -
0
156
S22AC_HUMAN
6
35%
0.317
PF00083
10 -
(0)
?
- / - / -
0
157
S22AD_HUMAN
5
50%
0.298
PF07690
15 -
(0)
?
- / - / -
0
158
S22AE_HUMAN
8
29%
0.334
PF07690
3 -
(0)
?
- / - / -
0
159
S22AF_HUMAN
6
50%
0.226
PF07690
12 -
(0)
?
- / - / -
0
160
S22AG_HUMAN
7
36%
0.252
PF00083
11 -
(0)
?
- / - / -
0
161
S22AH_HUMAN
7
41%
0.243
PF00083
11 -
(0)
?
- / - / -
0
162
S22AI_HUMAN
11
27%
0.292
PF07690
3 -
(0)
?
- / - / -
0
163
S22AK_HUMAN
8
41%
0.267
PF00083
8 -
(0)
?
- / - / -
0
164
S22AN_HUMAN
9
34%
0.273
PF07690
8 -
(0)
?
- / - / -
0
165
S22AO_HUMAN
8
43%
0.233
PF07690
2 -
(0)
?
- / - / -
0
166
S22AP_HUMAN
10
50%
0.273
PF00083
8 -
(0)
?
- / - / -
0
167
S22AV_HUMAN
6
31%
0.201
PF00083
14 -
(0)
?
- / - / -
0
168
S23A1_HUMAN
2
30%
0.303
PF05371
8 -
(0)
?
- / - / -
0
169
S23A2_HUMAN
3
44%
0.328
PF05464
8 -
(0)
?
- / - / -
0
170
S23A3_HUMAN
2
30%
0.231
PF00180
9 -
(0)
?
- / - / -
0
171
S2533_HUMAN
6
36%
0.168
PF00153
24 -
(0)
?
- / - / -
0
172
S2534_HUMAN
10
38%
0.214
PF00153
20 -
(0)
?
- / - / -
0
173
S2535_HUMAN
8
36%
0.173
PF00153
18 -
(0)
?
- / - / -
0
174
S2536_HUMAN
12
32%
0.211
PF00153
19 -
(0)
?
- / - / -
0
175
S2538_HUMAN
8
33%
0.133
PF00153
24 -
(0)
?
- / - / -
0
176
S2539_HUMAN
7
28%
0.188
PF00153
18 -
(0)
?
- / - / -
0
177
S2540_HUMAN
7
25%
0.044
PF00153
27 -
(0)
?
- / - / -
0
178
S2541_HUMAN
11
32%
0.255
PF00153
26 -
(0)
?
- / - / -
0
179
S2542_HUMAN
11
34%
0.187
PF00153
23 -
(0)
?
- / - / -
0
180
S2543_HUMAN
11
39%
0.128
PF00153
20 -
(0)
?
- / - / -
0
181
S2544_HUMAN
5
36%
0.200
PF00153
25 -
(0)
?
- / - / -
0
182
S2545_HUMAN
10
30%
0.128
PF00153
15 -
(0)
?
- / - / -
0
183
S2546_HUMAN
6
50%
0.251
PF00153
12 -
(0)
?
- / - / -
0
184
S2547_HUMAN
7
43%
0.007
PF02932
29 -
(0)
?
- / - / -
0
185
S2548_HUMAN
6
36%
0.076
PF00153
22 -
(0)
?
- / - / -
0
186
S2551_HUMAN
5
33%
0.270
PF00488
52 -
(0)
?
- / - / -
0
187
S2552_HUMAN
5
33%
0.277
PF00488
34 -
(0)
?
- / - / -
0
188
S2553_HUMAN
5
35%
0.259
PF00153
16 -
(0)
?
- / - / -
0
189
S2610_HUMAN
3
28%
0.405
PF01740
6 -
(0)
?
- / - / -
0
190
S2611_HUMAN
13
31%
0.408
PF01740
6 -
(0)
?
- / - / -
0
191
S26A1_HUMAN
13
35%
0.290
PF01740
4 -
(0)
?
- / - / -
0
192
S26A2_HUMAN
13
34%
0.384
PF01740
4 -
(0)
?
- / - / -
0
193
S26A3_HUMAN
10
36%
0.293
PF00230
8 -
(2)
?
- / - / -
0
194
S26A4_HUMAN
8
36%
0.519
PF01740
3 -
(0)
?
- / - / -
0
195
S26A5_HUMAN
13
91%
0.337
PF01740
4 -
(0)
?
- / - / -
0
196
S26A6_HUMAN
10
36%
0.395
PF01867
14 -
(0)
?
- / - / -
0
197
S26A7_HUMAN
10
27%
0.364
PF01740
4 -
(0)
?
- / - / -
0
198
S26A8_HUMAN
9
37%
0.333
PF01740
1 -
(0)
?
- / - / -
0
199
S26A9_HUMAN
12
43%
0.238
PF01740
3 -
(0)
?
- / - / -
0
200
S27A1_HUMAN
20
38%
0.489
PF13193
C4_S1
54 -
(26)
2
- /
2
/ -
2
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