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
SC6A4_HUMAN
20
53%
0.483
PF13520
C6_S1
37 -
(0)
13
- /
6
/
8
6
2
SC6A2_HUMAN
20
59%
0.409
PF13520
C5_S1
51 -
(0)
9
- /
2
/
3
4
3
SC6A3_HUMAN
20
55%
0.401
PF13520
C6_S1
43 -
(0)
8
- /
1
/
5
3
4
S27A3_HUMAN
20
27%
0.405
PF13193
C1_S1
54 -
(23)
2
- /
2
/ -
2
5
SATT_HUMAN
36
47%
0.345
PF04608
C8_S1
22 -
(0)
4
- / - /
21
2
6
EAA3_HUMAN
32
35%
0.287
PF00873
C13_S1
22 -
(0)
4
- / - /
22
2
7
EAA2_HUMAN
33
35%
0.353
PF08037
C7_S1
23 -
(0)
4
- / - /
22
2
8
SC6A7_HUMAN
20
47%
0.440
PF13520
C6_S1
68 -
(0)
15
- / - /
10
2
9
AAAT_HUMAN
36
50%
0.318
PF00873
C4_S1
22 -
(0)
4
- / - /
21
2
10
EAA1_HUMAN
34
35%
0.355
PF00873
C6_S1
22 -
(0)
4
- / - /
22
2
11
EAA5_HUMAN
35
37%
0.296
PF00873
C4_S1
22 -
(0)
4
- / - /
22
2
12
EAA4_HUMAN
28
38%
0.280
PF00873
C3_S1
22 -
(0)
4
- / - /
22
2
13
S27A1_HUMAN
20
38%
0.489
PF13193
C4_S1
54 -
(26)
2
- /
2
/ -
2
14
S27A4_HUMAN
20
26%
0.466
PF13193
C4_S1
62 -
(27)
1
- /
1
/ -
1
15
ADT2_HUMAN
14
90%
0.197
PF00153
C4_S1
28 -
(0)
3
- /
3
/
2
1
16
ADT3_HUMAN
14
90%
0.217
PF00153
C5_S1
28 -
(0)
3
- / - /
9
1
17
UT2_HUMAN
9
63%
0.480
PF03253
C2_S1
15 -
(0)
2
- /
1
/
2
1
18
S6A14_HUMAN
20
44%
0.402
PF13520
C4_S1
76 -
(0)
8
- / - /
7
1
19
ADT4_HUMAN
16
73%
0.255
PF00153
C3_S1
28 -
(0)
3
- / - /
4
1
20
ADT1_HUMAN
14
96%
0.241
PF00153
C5_S1
28 -
(0)
3
- /
3
/
2
1
21
S6A13_HUMAN
20
46%
0.427
PF13520
C8_S1
75 -
(0)
7
- / - /
1
1
22
S27A6_HUMAN
14
31%
0.393
PF13193
C2_S1
53 -
(23)
1
- / - /
1
1
23
S2544_HUMAN
5
36%
0.200
PF00153
25 -
(0)
?
- / - / -
0
24
SPX2_HUMAN
13
30%
0.310
PF07690
4 -
(0)
?
- / - / -
0
25
NPT2C_HUMAN
0
35%
0.165
PF07714
0 -
(0)
?
- / - / -
0
26
S47A1_HUMAN
9
25%
0.228
PF03742
15 -
(0)
?
- / - / -
0
27
CTL2_HUMAN
0
41%
0.145
PF01027
3 -
(0)
?
- / - / -
0
28
S12A1_HUMAN
7
33%
0.336
PF13520
4 -
(0)
?
- / - / -
0
29
MOT7_HUMAN
8
39%
0.254
PF01306
5 -
(0)
?
- / - / -
0
30
GTR12_HUMAN
17
37%
0.362
PF07690
14 -
(0)
?
- / - / -
0
31
UCP2_HUMAN
11
96%
0.055
PF00153
19 -
(0)
?
- / - / -
0
32
VGLU3_HUMAN
12
30%
0.243
PF07690
4 -
(0)
?
- / - / -
0
33
S22A1_HUMAN
4
27%
0.304
PF00083
12 -
(0)
?
- / - / -
0
34
S39A3_HUMAN
0
59%
0.075
PF00144
5 -
(0)
?
- / - / -
0
35
LAT3_HUMAN
7
43%
0.195
PF07690
4 -
(0)
?
- / - / -
0
36
SC5A4_HUMAN
9
28%
0.332
PF00474
2 -
(0)
?
- / - / -
0
37
S35G1_HUMAN
0
35%
-0.060
PF07885
3 -
(0)
?
- / - / -
0
38
MOT9_HUMAN
11
26%
0.266
PF07690
4 -
(0)
?
- / - / -
0
39
NPT2A_HUMAN
0
41%
0.200
PF01741
1 -
(0)
?
- / - / -
0
40
S35D1_HUMAN
0
30%
0.087
PF02038
0 -
(0)
?
- / - / -
0
41
S46A3_HUMAN
11
26%
0.192
PF07690
3 -
(0)
?
- / - / -
0
42
SCMC1_HUMAN
10
100%
0.767
PF13499
8 -
(0)
?
- / - / -
0
43
S12A3_HUMAN
4
16%
0.466
PF00582
7 -
(0)
?
- / - / -
0
44
SO2B1_HUMAN
10
20%
0.223
PF07690
3 -
(0)
?
- / - / -
0
45
SL9A1_HUMAN
7
100%
0.287
PF00999
3 -
(0)
1
- / - / -
0
46
S39A5_HUMAN
0
29%
0.092
PF13499
5 -
(0)
?
- / - / -
0
47
MOT4_HUMAN
11
18%
0.244
PF07690
4 -
(0)
?
- / - / -
0
48
S38A8_HUMAN
3
23%
0.234
PF13520
3 -
(0)
?
- / - / -
0
49
S28A3_HUMAN
10
40%
0.439
PF00584
12 -
(0)
?
- / - / -
0
50
S38AA_HUMAN
3
33%
0.265
PF04433
5 -
(0)
?
- / - / -
0
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