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
SATT_HUMAN
36
47%
0.345
PF04608
C8_S1
22 -
(0)
4
- / - /
21
2
101
SWET1_HUMAN
0
46%
0.344
PF10432
7 -
(6)
?
- / - / -
0
102
S22AA_HUMAN
3
36%
0.342
PF00083
15 -
(0)
?
- / - / -
0
103
SL9B2_HUMAN
2
36%
0.337
PF02774
7 -
(0)
?
- / - / -
0
104
S26A5_HUMAN
13
91%
0.337
PF01740
4 -
(0)
?
- / - / -
0
105
S12A1_HUMAN
7
33%
0.336
PF13520
4 -
(0)
?
- / - / -
0
106
S38A2_HUMAN
4
45%
0.335
PF13520
3 -
(0)
?
- / - / -
0
107
S22AE_HUMAN
8
29%
0.334
PF07690
3 -
(0)
?
- / - / -
0
108
SC5A1_HUMAN
6
34%
0.333
PF00474
2 -
(0)
?
- / - / -
0
109
S22A8_HUMAN
8
43%
0.333
PF00083
12 -
(2)
?
- / - / -
0
110
S26A8_HUMAN
9
37%
0.333
PF01740
1 -
(0)
?
- / - / -
0
111
PCFT_HUMAN
12
33%
0.333
PF07690
4 -
(0)
?
- / - / -
0
112
SC5A4_HUMAN
9
28%
0.332
PF00474
2 -
(0)
?
- / - / -
0
113
S4A11_HUMAN
12
21%
0.332
PF00359
4 -
(0)
?
- / - / -
0
114
SL9B1_HUMAN
2
30%
0.332
PF00999
2 -
(0)
?
- / - / -
0
115
S6A19_HUMAN
19
50%
0.332
PF13520
64 -
(0)
?
- / - / -
0
116
CTR1_HUMAN
4
35%
0.330
PF13520
7 -
(0)
?
- / - / -
0
117
S7A14_HUMAN
4
36%
0.329
PF13520
4 -
(0)
?
- / - / -
0
118
S39A4_HUMAN
0
39%
0.328
PF01405
2 -
(1)
?
- / - / -
0
119
S23A2_HUMAN
3
44%
0.328
PF05464
8 -
(0)
?
- / - / -
0
120
NTCP5_HUMAN
4
28%
0.327
PF06965
13 -
(0)
?
- / - / -
0
121
YLAT1_HUMAN
5
25%
0.327
PF13520
5 -
(0)
?
- / - / -
0
122
S41A1_HUMAN
2
40%
0.324
PF03448
3 -
(0)
?
- / - / -
0
123
S36A3_HUMAN
4
31%
0.323
PF13520
4 -
(0)
?
- / - / -
0
124
S6A15_HUMAN
20
45%
0.323
PF06596
57 -
(0)
?
- / - / -
0
125
ZNT10_HUMAN
7
31%
0.323
PF01545
0 -
(0)
?
- / - / -
0
126
S6A16_HUMAN
17
33%
0.322
PF13520
63 -
(0)
?
- / - / -
0
127
MYCT_HUMAN
18
43%
0.320
PF00083
16 -
(0)
?
- / - / -
0
128
S22A9_HUMAN
7
43%
0.319
PF00083
12 -
(0)
?
- / - / -
0
129
AAAT_HUMAN
36
50%
0.318
PF00873
C4_S1
22 -
(0)
4
- / - /
21
2
130
S12A4_HUMAN
5
30%
0.318
PF01168
8 -
(8)
?
- / - / -
0
131
MOT6_HUMAN
10
30%
0.318
PF07690
16 -
(0)
?
- / - / -
0
132
S22AC_HUMAN
6
35%
0.317
PF00083
10 -
(0)
?
- / - / -
0
133
SC5A2_HUMAN
9
50%
0.314
PF00474
3 -
(0)
?
- / - / -
0
134
MOT12_HUMAN
12
36%
0.314
PF07690
6 -
(0)
?
- / - / -
0
135
G6PT1_HUMAN
11
29%
0.311
PF07690
5 -
(0)
?
- / - / -
0
136
CTR3_HUMAN
4
31%
0.311
PF13520
12 -
(0)
?
- / - / -
0
137
SPX2_HUMAN
13
30%
0.310
PF07690
4 -
(0)
?
- / - / -
0
138
S39A6_HUMAN
0
32%
0.310
PF13499
5 -
(0)
?
- / - / -
0
139
S12A5_HUMAN
3
28%
0.309
PF13520
5 -
(0)
?
- / - / -
0
140
S22AB_HUMAN
5
43%
0.309
PF00083
12 -
(0)
?
- / - / -
0
141
SC5AB_HUMAN
10
32%
0.307
PF00474
2 -
(0)
?
- / - / -
0
142
S29A1_HUMAN
2
37%
0.306
PF07690
13 -
(0)
?
- / - / -
0
143
SPX3_HUMAN
12
28%
0.305
PF07690
2 -
(0)
?
- / - / -
0
144
LAT1_HUMAN
6
25%
0.304
PF13520
6 -
(0)
?
- / - / -
0
145
S22A1_HUMAN
4
27%
0.304
PF00083
12 -
(0)
?
- / - / -
0
146
XCT_HUMAN
5
34%
0.304
PF13520
5 -
(0)
?
- / - / -
0
147
S23A1_HUMAN
2
30%
0.303
PF05371
8 -
(0)
?
- / - / -
0
148
S38A5_HUMAN
4
40%
0.302
PF02932
1 -
(0)
?
- / - / -
0
149
BAT1_HUMAN
5
32%
0.300
PF13520
9 -
(0)
?
- / - / -
0
150
S40A1_HUMAN
10
25%
0.299
PF07690
4 -
(0)
?
- / - / -
0
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