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]
1
SL9A6_HUMAN
2
68%
0.371
PF00999
150 -
(0)
?
- / - / -
0
2
SOAT_HUMAN
5
34%
0.261
PF03936
117 -
(0)
?
- / - / -
0
3
S6A17_HUMAN
20
46%
0.422
PF06596
79 -
(0)
?
- / - / -
0
4
S6A14_HUMAN
20
44%
0.402
PF13520
C4_S1
76 -
(0)
8
- / - /
7
1
5
S6A13_HUMAN
20
46%
0.427
PF13520
C8_S1
75 -
(0)
7
- / - /
1
1
6
S6A12_HUMAN
20
47%
0.427
PF13520
71 -
(0)
1
- / - / -
0
7
SC6A7_HUMAN
20
47%
0.440
PF13520
C6_S1
68 -
(0)
15
- / - /
10
2
8
S6A19_HUMAN
19
50%
0.332
PF13520
64 -
(0)
?
- / - / -
0
9
S6A16_HUMAN
17
33%
0.322
PF13520
63 -
(0)
?
- / - / -
0
10
S27A4_HUMAN
20
26%
0.466
PF13193
C4_S1
62 -
(27)
1
- /
1
/ -
1
11
SC6A6_HUMAN
20
47%
0.374
PF13520
60 -
(0)
1
- / - / -
0
12
SC6A8_HUMAN
20
45%
0.381
PF13520
C8_S1
59 -
(0)
5
- /
1
/
4
0
13
SC6A9_HUMAN
20
44%
0.440
PF13520
58 -
(0)
3
- / - / -
0
14
S6A15_HUMAN
20
45%
0.323
PF06596
57 -
(0)
?
- / - / -
0
15
SC6A1_HUMAN
20
46%
0.450
PF13520
C4_S1
55 -
(0)
3
- / - /
1
0
16
S27A3_HUMAN
20
27%
0.405
PF13193
C1_S1
54 -
(23)
2
- /
2
/ -
2
17
S27A1_HUMAN
20
38%
0.489
PF13193
C4_S1
54 -
(26)
2
- /
2
/ -
2
18
S27A6_HUMAN
14
31%
0.393
PF13193
C2_S1
53 -
(23)
1
- / - /
1
1
19
S2551_HUMAN
5
33%
0.270
PF00488
52 -
(0)
?
- / - / -
0
20
SC6A2_HUMAN
20
59%
0.409
PF13520
C5_S1
51 -
(0)
9
- /
2
/
3
4
21
S27A5_HUMAN
20
26%
0.477
PF13193
51 -
(21)
?
- / - / -
0
22
S6A11_HUMAN
20
46%
0.367
PF13520
50 -
(0)
?
- / - / -
0
23
S6A20_HUMAN
18
36%
0.419
PF13520
48 -
(0)
?
- / - / -
0
24
NHRF2_HUMAN
13
100%
0.765
PF00595
47 -
(0)
1
- / - / -
0
25
S27A2_HUMAN
20
24%
0.487
PF13193
46 -
(19)
?
- / - / -
0
26
NHRF1_HUMAN
14
100%
0.515
PF00595
43 -
(0)
?
- / - / -
0
27
SC6A5_HUMAN
20
46%
0.387
PF13520
C6_S1
43 -
(0)
3
- / - /
2
0
28
SC6A3_HUMAN
20
55%
0.401
PF13520
C6_S1
43 -
(0)
8
- /
1
/
5
3
29
S6A18_HUMAN
20
37%
0.395
PF13520
43 -
(0)
?
- / - / -
0
30
SC6A4_HUMAN
20
53%
0.483
PF13520
C6_S1
37 -
(0)
13
- /
6
/
8
6
31
SLC31_HUMAN
20
38%
0.381
PF00128
34 -
(0)
?
- / - / -
0
32
S2552_HUMAN
5
33%
0.277
PF00488
34 -
(0)
?
- / - / -
0
33
S2547_HUMAN
7
43%
0.007
PF02932
29 -
(0)
?
- / - / -
0
34
ADT2_HUMAN
14
90%
0.197
PF00153
C4_S1
28 -
(0)
3
- /
3
/
2
1
35
ADT4_HUMAN
16
73%
0.255
PF00153
C3_S1
28 -
(0)
3
- / - /
4
1
36
ADT1_HUMAN
14
96%
0.241
PF00153
C5_S1
28 -
(0)
3
- /
3
/
2
1
37
ADT3_HUMAN
14
90%
0.217
PF00153
C5_S1
28 -
(0)
3
- / - /
9
1
38
S2540_HUMAN
7
25%
0.044
PF00153
27 -
(0)
?
- / - / -
0
39
M2OM_HUMAN
7
35%
0.255
PF00153
27 -
(0)
?
- / - / -
0
40
S2541_HUMAN
11
32%
0.255
PF00153
26 -
(0)
?
- / - / -
0
41
S2544_HUMAN
5
36%
0.200
PF00153
25 -
(0)
?
- / - / -
0
42
UCP5_HUMAN
11
38%
0.154
PF00153
25 -
(0)
?
- / - / -
0
43
GHC2_HUMAN
14
36%
0.172
PF00153
25 -
(0)
?
- / - / -
0
44
S15A2_HUMAN
15
30%
0.242
PF07690
24 -
(0)
?
- / - / -
0
45
S2538_HUMAN
8
33%
0.133
PF00153
24 -
(0)
?
- / - / -
0
46
S2533_HUMAN
6
36%
0.168
PF00153
24 -
(0)
?
- / - / -
0
47
GHC1_HUMAN
13
26%
0.192
PF00153
24 -
(0)
?
- / - / -
0
48
ODC_HUMAN
8
36%
0.147
PF00153
23 -
(0)
?
- / - / -
0
49
UCP1_HUMAN
13
58%
0.018
PF00153
23 -
(0)
1
- / - / -
0
50
EAA2_HUMAN
33
35%
0.353
PF08037
C7_S1
23 -
(0)
4
- / - /
22
2
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