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]
100
MOT12_HUMAN
12
36%
0.314
PF07690
6 -
(0)
?
- / - / -
0
101
SO4A1_HUMAN
8
16%
0.061
PF07690
2 -
(0)
?
- / - / -
0
102
S6A19_HUMAN
19
50%
0.332
PF13520
64 -
(0)
?
- / - / -
0
103
SO3A1_HUMAN
8
21%
0.105
PF07690
1 -
(0)
?
- / - / -
0
104
B3AT_HUMAN
18
100%
0.538
PF00955
4 -
(0)
2
- / - / -
0
105
S13A1_HUMAN
1
27%
0.205
PF00283
0 -
(0)
?
- / - / -
0
106
S39AD_HUMAN
0
33%
-0.002
PF00106
12 -
(0)
?
- / - / -
0
107
S35G2_HUMAN
0
30%
0.217
PF02038
1 -
(0)
?
- / - / -
0
108
SC5AA_HUMAN
9
50%
0.291
PF00474
2 -
(0)
?
- / - / -
0
109
S22A6_HUMAN
6
43%
0.297
PF00083
15 -
(0)
?
- / - / -
0
110
GTR12_HUMAN
17
37%
0.362
PF07690
14 -
(0)
?
- / - / -
0
111
S12A2_HUMAN
7
34%
0.366
PF13520
4 -
(0)
?
- / - / -
0
112
SLC31_HUMAN
20
38%
0.381
PF00128
34 -
(0)
?
- / - / -
0
113
S23A2_HUMAN
3
44%
0.328
PF05464
8 -
(0)
?
- / - / -
0
114
DIC_HUMAN
7
41%
0.256
PF00153
20 -
(0)
?
- / - / -
0
115
NTCP5_HUMAN
4
28%
0.327
PF06965
13 -
(0)
?
- / - / -
0
116
CTR3_HUMAN
4
31%
0.311
PF13520
12 -
(0)
?
- / - / -
0
117
SL9A1_HUMAN
7
100%
0.287
PF00999
3 -
(0)
1
- / - / -
0
118
S4A5_HUMAN
13
36%
0.414
PF00955
6 -
(0)
?
- / - / -
0
119
S35F6_HUMAN
0
35%
0.234
PF02038
2 -
(0)
?
- / - / -
0
120
MOT4_HUMAN
11
18%
0.244
PF07690
4 -
(0)
?
- / - / -
0
121
S22AE_HUMAN
8
29%
0.334
PF07690
3 -
(0)
?
- / - / -
0
122
S35A5_HUMAN
1
30%
0.062
PF03742
2 -
(0)
?
- / - / -
0
123
S26A3_HUMAN
10
36%
0.293
PF00230
8 -
(2)
?
- / - / -
0
124
S36A2_HUMAN
4
21%
0.235
PF13520
1 -
(0)
?
- / - / -
0
125
MOT3_HUMAN
9
25%
0.252
PF01306
4 -
(0)
?
- / - / -
0
126
S2544_HUMAN
5
36%
0.200
PF00153
25 -
(0)
?
- / - / -
0
127
UCP3_HUMAN
13
73%
0.010
PF00153
16 -
(0)
?
- / - / -
0
128
S39AA_HUMAN
0
33%
0.783
PF13499
4 -
(0)
?
- / - / -
0
129
SO2A1_HUMAN
8
19%
0.257
PF07690
0 -
(0)
?
- / - / -
0
130
S17A5_HUMAN
10
32%
0.150
PF07690
4 -
(0)
?
- / - / -
0
131
MOT8_HUMAN
9
24%
0.244
PF07690
12 -
(0)
?
- / - / -
0
132
S35A4_HUMAN
1
33%
0.064
PF11628
0 -
(0)
?
- / - / -
0
133
S22AB_HUMAN
5
43%
0.309
PF00083
12 -
(0)
?
- / - / -
0
134
ZNT5_HUMAN
8
36%
0.256
PF01545
1 -
(0)
?
- / - / -
0
135
CTL5_HUMAN
0
29%
0.170
PF06100
2 -
(0)
?
- / - / -
0
136
GTR11_HUMAN
17
43%
0.383
PF00083
15 -
(0)
?
- / - / -
0
137
LAT3_HUMAN
7
43%
0.195
PF07690
4 -
(0)
?
- / - / -
0
138
NTCP_HUMAN
5
40%
0.227
PF06965
11 -
(0)
?
- / - / -
0
139
VGLU3_HUMAN
12
30%
0.243
PF07690
4 -
(0)
?
- / - / -
0
140
UCP5_HUMAN
11
38%
0.154
PF00153
25 -
(0)
?
- / - / -
0
141
CTL1_HUMAN
0
33%
0.216
PF01754
0 -
(0)
?
- / - / -
0
142
SC5A9_HUMAN
9
35%
0.298
PF00474
3 -
(0)
?
- / - / -
0
143
S52A2_HUMAN
0
36%
0.265
PF10584
0 -
(0)
?
- / - / -
0
144
S4A8_HUMAN
15
58%
0.452
PF00115
4 -
(0)
?
- / - / -
0
145
NTCP4_HUMAN
0
35%
0.227
PF07654
1 -
(0)
?
- / - / -
0
146
MCATL_HUMAN
11
38%
0.111
PF00153
19 -
(0)
?
- / - / -
0
147
S6A20_HUMAN
18
36%
0.419
PF13520
48 -
(0)
?
- / - / -
0
148
S2534_HUMAN
10
38%
0.214
PF00153
20 -
(0)
?
- / - / -
0
149
GTR4_HUMAN
18
64%
0.412
PF00083
15 -
(0)
2
- / - / -
0
150
S2533_HUMAN
6
36%
0.168
PF00153
24 -
(0)
?
- / - / -
0
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