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
ADT1_HUMAN
14
96%
0.241
PF00153
C5_S1
28 -
(0)
3
- /
3
/
2
1
3
ADT2_HUMAN
14
90%
0.197
PF00153
C4_S1
28 -
(0)
3
- /
3
/
2
1
4
SC6A2_HUMAN
20
59%
0.409
PF13520
C5_S1
51 -
(0)
9
- /
2
/
3
4
5
S27A1_HUMAN
20
38%
0.489
PF13193
C4_S1
54 -
(26)
2
- /
2
/ -
2
6
S27A3_HUMAN
20
27%
0.405
PF13193
C1_S1
54 -
(23)
2
- /
2
/ -
2
7
SC6A3_HUMAN
20
55%
0.401
PF13520
C6_S1
43 -
(0)
8
- /
1
/
5
3
8
SC6A8_HUMAN
20
45%
0.381
PF13520
C8_S1
59 -
(0)
5
- /
1
/
4
0
9
UT2_HUMAN
9
63%
0.480
PF03253
C2_S1
15 -
(0)
2
- /
1
/
2
1
10
S27A4_HUMAN
20
26%
0.466
PF13193
C4_S1
62 -
(27)
1
- /
1
/ -
1
11
EAA5_HUMAN
35
37%
0.296
PF00873
C4_S1
22 -
(0)
4
- / - /
22
2
12
EAA1_HUMAN
34
35%
0.355
PF00873
C6_S1
22 -
(0)
4
- / - /
22
2
13
EAA3_HUMAN
32
35%
0.287
PF00873
C13_S1
22 -
(0)
4
- / - /
22
2
14
EAA2_HUMAN
33
35%
0.353
PF08037
C7_S1
23 -
(0)
4
- / - /
22
2
15
EAA4_HUMAN
28
38%
0.280
PF00873
C3_S1
22 -
(0)
4
- / - /
22
2
16
SATT_HUMAN
36
47%
0.345
PF04608
C8_S1
22 -
(0)
4
- / - /
21
2
17
AAAT_HUMAN
36
50%
0.318
PF00873
C4_S1
22 -
(0)
4
- / - /
21
2
18
SC6A7_HUMAN
20
47%
0.440
PF13520
C6_S1
68 -
(0)
15
- / - /
10
2
19
ADT3_HUMAN
14
90%
0.217
PF00153
C5_S1
28 -
(0)
3
- / - /
9
1
20
S6A14_HUMAN
20
44%
0.402
PF13520
C4_S1
76 -
(0)
8
- / - /
7
1
21
ADT4_HUMAN
16
73%
0.255
PF00153
C3_S1
28 -
(0)
3
- / - /
4
1
22
UT1_HUMAN
9
79%
0.499
PF03253
C3_S1
15 -
(0)
1
- / - /
2
0
23
SC6A5_HUMAN
20
46%
0.387
PF13520
C6_S1
43 -
(0)
3
- / - /
2
0
24
GDC_HUMAN
11
30%
0.134
PF00153
C5_S1
16 -
(0)
1
- / - /
2
0
25
GTR2_HUMAN
18
52%
0.446
PF00083
C1_S1
15 -
(0)
1
- / - /
1
0
26
S6A13_HUMAN
20
46%
0.427
PF13520
C8_S1
75 -
(0)
7
- / - /
1
1
27
S27A6_HUMAN
14
31%
0.393
PF13193
C2_S1
53 -
(23)
1
- / - /
1
1
28
SC6A1_HUMAN
20
46%
0.450
PF13520
C4_S1
55 -
(0)
3
- / - /
1
0
29
GTR10_HUMAN
18
33%
0.348
PF00083
C2_S1
12 -
(0)
?
- / - /
1
0
30
GTR1_HUMAN
20
99%
0.411
PF00083
C1_S1
13 -
(0)
2
- / - /
1
0
31
GTR9_HUMAN
16
38%
0.398
PF00083
C3_S1
13 -
(0)
2
- / - /
1
0
32
S22AI_HUMAN
11
27%
0.292
PF07690
3 -
(0)
?
- / - / -
0
33
S12A6_HUMAN
6
27%
0.348
PF13520
5 -
(0)
?
- / - / -
0
34
UCP5_HUMAN
11
38%
0.154
PF00153
25 -
(0)
?
- / - / -
0
35
S27A2_HUMAN
20
24%
0.487
PF13193
46 -
(19)
?
- / - / -
0
36
S6A17_HUMAN
20
46%
0.422
PF06596
79 -
(0)
?
- / - / -
0
37
S26A3_HUMAN
10
36%
0.293
PF00230
8 -
(2)
?
- / - / -
0
38
S19A2_HUMAN
10
25%
0.258
PF07690
4 -
(0)
?
- / - / -
0
39
GTR14_HUMAN
19
94%
0.402
PF00083
15 -
(0)
2
- / - / -
0
40
S38AB_HUMAN
5
19%
0.206
PF13520
3 -
(0)
?
- / - / -
0
41
S20A2_HUMAN
0
37%
0.110
PF02055
6 -
(0)
?
- / - / -
0
42
S46A3_HUMAN
11
26%
0.192
PF07690
3 -
(0)
?
- / - / -
0
43
S39A3_HUMAN
0
59%
0.075
PF00144
5 -
(0)
?
- / - / -
0
44
OSCP1_HUMAN
0
47%
0.268
PF00179
3 -
(0)
?
- / - / -
0
45
LAT4_HUMAN
10
26%
0.136
PF07690
2 -
(0)
?
- / - / -
0
46
S35E2_HUMAN
0
34%
0.235
PF03357
0 -
(0)
?
- / - / -
0
47
S45A4_HUMAN
10
23%
0.113
PF07690
2 -
(0)
?
- / - / -
0
48
DIC_HUMAN
7
41%
0.256
PF00153
20 -
(0)
?
- / - / -
0
49
GTR8_HUMAN
17
42%
0.388
PF07690
15 -
(0)
?
- / - / -
0
50
SL9A4_HUMAN
3
95%
0.244
PF00999
4 -
(0)
?
- / - / -
0
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