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
YLAT1_HUMAN
5
25%
0.327
PF13520
5 -
(0)
?
- / - / -
0
101
SL9A6_HUMAN
2
68%
0.371
PF00999
150 -
(0)
?
- / - / -
0
102
GHC1_HUMAN
13
26%
0.192
PF00153
24 -
(0)
?
- / - / -
0
103
NCKX3_HUMAN
3
30%
0.206
PF01699
10 -
(0)
?
- / - / -
0
104
S22A1_HUMAN
4
27%
0.304
PF00083
12 -
(0)
?
- / - / -
0
105
S22AV_HUMAN
6
31%
0.201
PF00083
14 -
(0)
?
- / - / -
0
106
S4A5_HUMAN
13
36%
0.414
PF00955
6 -
(0)
?
- / - / -
0
107
NPT1_HUMAN
8
25%
0.219
PF07690
2 -
(0)
?
- / - / -
0
108
NHRF1_HUMAN
14
100%
0.515
PF00595
43 -
(0)
?
- / - / -
0
109
NPT4_HUMAN
11
25%
0.165
PF07690
1 -
(0)
?
- / - / -
0
110
S15A4_HUMAN
7
50%
0.407
PF07690
20 -
(0)
?
- / - / -
0
111
S45A1_HUMAN
10
25%
0.133
PF07690
4 -
(0)
?
- / - / -
0
112
S52A3_HUMAN
0
18%
0.145
-
5 -
(0)
?
- / - / -
0
113
GTR11_HUMAN
17
43%
0.383
PF00083
15 -
(0)
?
- / - / -
0
114
HRG1_HUMAN
0
37%
0.111
PF00909
0 -
(0)
?
- / - / -
0
115
S35A1_HUMAN
2
27%
0.175
PF00234
1 -
(0)
?
- / - / -
0
116
TSCOT_HUMAN
10
29%
0.085
PF07690
3 -
(0)
?
- / - / -
0
117
S29A4_HUMAN
0
30%
0.175
PF07690
4 -
(0)
?
- / - / -
0
118
SC6A1_HUMAN
20
46%
0.450
PF13520
C4_S1
55 -
(0)
3
- / - /
1
0
119
S35A5_HUMAN
1
30%
0.062
PF03742
2 -
(0)
?
- / - / -
0
120
TXTP_HUMAN
9
35%
0.187
PF00153
19 -
(0)
?
- / - / -
0
121
DIC_HUMAN
7
41%
0.256
PF00153
20 -
(0)
?
- / - / -
0
122
S22A4_HUMAN
3
43%
0.205
PF07690
11 -
(0)
?
- / - / -
0
123
NPT2C_HUMAN
0
35%
0.165
PF07714
0 -
(0)
?
- / - / -
0
124
LAT2_HUMAN
6
26%
0.366
PF13520
4 -
(0)
?
- / - / -
0
125
SC5A1_HUMAN
6
34%
0.333
PF00474
2 -
(0)
?
- / - / -
0
126
LAT3_HUMAN
7
43%
0.195
PF07690
4 -
(0)
?
- / - / -
0
127
ZNT4_HUMAN
6
33%
0.267
PF01545
2 -
(0)
?
- / - / -
0
128
S39A3_HUMAN
0
59%
0.075
PF00144
5 -
(0)
?
- / - / -
0
129
S12A9_HUMAN
11
42%
0.400
PF00582
4 -
(0)
?
- / - / -
0
130
S2538_HUMAN
8
33%
0.133
PF00153
24 -
(0)
?
- / - / -
0
131
SPX2_HUMAN
13
30%
0.310
PF07690
4 -
(0)
?
- / - / -
0
132
S28A2_HUMAN
10
38%
0.394
PF00584
12 -
(0)
?
- / - / -
0
133
S22AA_HUMAN
3
36%
0.342
PF00083
15 -
(0)
?
- / - / -
0
134
MOT14_HUMAN
11
32%
0.252
PF07690
2 -
(0)
?
- / - / -
0
135
VMAT1_HUMAN
8
35%
0.258
PF07690
6 -
(0)
?
- / - / -
0
136
G6PT1_HUMAN
11
29%
0.311
PF07690
5 -
(0)
?
- / - / -
0
137
S23A2_HUMAN
3
44%
0.328
PF05464
8 -
(0)
?
- / - / -
0
138
S39AA_HUMAN
0
33%
0.783
PF13499
4 -
(0)
?
- / - / -
0
139
S41A2_HUMAN
2
30%
0.082
PF10613
17 -
(0)
?
- / - / -
0
140
S23A1_HUMAN
2
30%
0.303
PF05371
8 -
(0)
?
- / - / -
0
141
B3A4_HUMAN
14
51%
0.252
PF00955
3 -
(0)
?
- / - / -
0
142
S35D2_HUMAN
2
34%
-0.147
PF00893
1 -
(0)
?
- / - / -
0
143
BAT1_HUMAN
5
32%
0.300
PF13520
9 -
(0)
?
- / - / -
0
144
S26A8_HUMAN
9
37%
0.333
PF01740
1 -
(0)
?
- / - / -
0
145
GTR10_HUMAN
18
33%
0.348
PF00083
C2_S1
12 -
(0)
?
- / - /
1
0
146
FUCT1_HUMAN
0
41%
0.297
PF02038
1 -
(0)
?
- / - / -
0
147
SL9A8_HUMAN
2
62%
0.351
PF00999
10 -
(0)
?
- / - / -
0
148
S38AA_HUMAN
3
33%
0.265
PF04433
5 -
(0)
?
- / - / -
0
149
S12A2_HUMAN
7
34%
0.366
PF13520
4 -
(0)
?
- / - / -
0
150
SC5A2_HUMAN
9
50%
0.314
PF00474
3 -
(0)
?
- / - / -
0
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