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
G6PT1_HUMAN
11
29%
0.311
PF07690
5 -
(0)
?
- / - / -
0
101
SL9C1_HUMAN
16
38%
0.397
PF00027
13 -
(0)
?
- / - / -
0
102
S6A16_HUMAN
17
33%
0.322
PF13520
63 -
(0)
?
- / - / -
0
103
CMC1_HUMAN
7
100%
0.597
PF13499
8 -
(0)
?
- / - / -
0
104
S2547_HUMAN
7
43%
0.007
PF02932
29 -
(0)
?
- / - / -
0
105
S4A10_HUMAN
15
60%
0.443
PF00955
3 -
(0)
?
- / - / -
0
106
S20A2_HUMAN
0
37%
0.110
PF02055
6 -
(0)
?
- / - / -
0
107
S12A2_HUMAN
7
34%
0.366
PF13520
4 -
(0)
?
- / - / -
0
108
S38A5_HUMAN
4
40%
0.302
PF02932
1 -
(0)
?
- / - / -
0
109
S35F1_HUMAN
0
35%
0.251
PF00171
1 -
(0)
?
- / - / -
0
110
S2610_HUMAN
3
28%
0.405
PF01740
6 -
(0)
?
- / - / -
0
111
NPT2A_HUMAN
0
41%
0.200
PF01741
1 -
(0)
?
- / - / -
0
112
MOT11_HUMAN
12
29%
0.187
PF07690
1 -
(0)
?
- / - / -
0
113
S35F5_HUMAN
0
29%
0.209
PF00069
0 -
(0)
?
- / - / -
0
114
S13A3_HUMAN
1
36%
0.188
PF02774
2 -
(0)
?
- / - / -
0
115
NRAM2_HUMAN
7
38%
0.292
PF13520
2 -
(0)
?
- / - / -
0
116
S2540_HUMAN
7
25%
0.044
PF00153
27 -
(0)
?
- / - / -
0
117
S13A1_HUMAN
1
27%
0.205
PF00283
0 -
(0)
?
- / - / -
0
118
S2548_HUMAN
6
36%
0.076
PF00153
22 -
(0)
?
- / - / -
0
119
SCMC3_HUMAN
11
50%
0.633
PF13499
7 -
(0)
?
- / - / -
0
120
S26A8_HUMAN
9
37%
0.333
PF01740
1 -
(0)
?
- / - / -
0
121
MFRN1_HUMAN
6
29%
0.129
PF00153
15 -
(0)
?
- / - / -
0
122
S12A4_HUMAN
5
30%
0.318
PF01168
8 -
(8)
?
- / - / -
0
123
S35A1_HUMAN
2
27%
0.175
PF00234
1 -
(0)
?
- / - / -
0
124
GTR3_HUMAN
19
99%
0.444
PF00083
15 -
(0)
2
- / - / -
0
125
S35E3_HUMAN
0
43%
-0.038
PF02038
0 -
(0)
?
- / - / -
0
126
S6A17_HUMAN
20
46%
0.422
PF06596
79 -
(0)
?
- / - / -
0
127
S22AI_HUMAN
11
27%
0.292
PF07690
3 -
(0)
?
- / - / -
0
128
SL9A8_HUMAN
2
62%
0.351
PF00999
10 -
(0)
?
- / - / -
0
129
S6A20_HUMAN
18
36%
0.419
PF13520
48 -
(0)
?
- / - / -
0
130
MOT6_HUMAN
10
30%
0.318
PF07690
16 -
(0)
?
- / - / -
0
131
GTR7_HUMAN
19
43%
0.377
PF00083
15 -
(0)
?
- / - / -
0
132
S45A2_HUMAN
10
36%
0.238
PF07690
2 -
(0)
?
- / - / -
0
133
SC5AC_HUMAN
7
43%
0.254
PF00474
3 -
(0)
?
- / - / -
0
134
S47A1_HUMAN
9
25%
0.228
PF03742
15 -
(0)
?
- / - / -
0
135
S22A6_HUMAN
6
43%
0.297
PF00083
15 -
(0)
?
- / - / -
0
136
S23A3_HUMAN
2
30%
0.231
PF00180
9 -
(0)
?
- / - / -
0
137
P3_HUMAN
5
29%
0.297
PF06965
11 -
(0)
?
- / - / -
0
138
S47A2_HUMAN
5
26%
0.104
PF00556
17 -
(0)
?
- / - / -
0
139
NADAP_HUMAN
16
100%
0.648
PF00498
6 -
(0)
?
- / - / -
0
140
S39A6_HUMAN
0
32%
0.310
PF13499
5 -
(0)
?
- / - / -
0
141
S35G1_HUMAN
0
35%
-0.060
PF07885
3 -
(0)
?
- / - / -
0
142
OSCP1_HUMAN
0
47%
0.268
PF00179
3 -
(0)
?
- / - / -
0
143
NTCP5_HUMAN
4
28%
0.327
PF06965
13 -
(0)
?
- / - / -
0
144
SC5A5_HUMAN
7
25%
0.276
PF00474
3 -
(0)
?
- / - / -
0
145
FUCT1_HUMAN
0
41%
0.297
PF02038
1 -
(0)
?
- / - / -
0
146
S22AD_HUMAN
5
50%
0.298
PF07690
15 -
(0)
?
- / - / -
0
147
S38A4_HUMAN
4
29%
0.355
PF02932
3 -
(0)
?
- / - / -
0
148
S22A2_HUMAN
12
36%
0.286
PF00083
12 -
(0)
?
- / - / -
0
149
YLAT1_HUMAN
5
25%
0.327
PF13520
5 -
(0)
?
- / - / -
0
150
S43A3_HUMAN
10
52%
0.252
PF00069
7 -
(0)
?
- / - / -
0
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