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
AAAT_HUMAN
36
50%
0.318
PF00873
C4_S1
22 -
(0)
4
- / - /
21
2
2
SATT_HUMAN
36
47%
0.345
PF04608
C8_S1
22 -
(0)
4
- / - /
21
2
3
EAA5_HUMAN
35
37%
0.296
PF00873
C4_S1
22 -
(0)
4
- / - /
22
2
4
EAA1_HUMAN
34
35%
0.355
PF00873
C6_S1
22 -
(0)
4
- / - /
22
2
5
EAA2_HUMAN
33
35%
0.353
PF08037
C7_S1
23 -
(0)
4
- / - /
22
2
6
EAA3_HUMAN
32
35%
0.287
PF00873
C13_S1
22 -
(0)
4
- / - /
22
2
7
EAA4_HUMAN
28
38%
0.280
PF00873
C3_S1
22 -
(0)
4
- / - /
22
2
8
NAC1_HUMAN
21
98%
0.616
PF01699
5 -
(0)
1
- / - / -
0
9
NAC2_HUMAN
21
68%
0.371
PF01699
4 -
(0)
1
- / - / -
0
10
S6A15_HUMAN
20
45%
0.323
PF06596
57 -
(0)
?
- / - / -
0
11
S27A1_HUMAN
20
38%
0.489
PF13193
C4_S1
54 -
(26)
2
- /
2
/ -
2
12
GTR1_HUMAN
20
99%
0.411
PF00083
C1_S1
13 -
(0)
2
- / - /
1
0
13
SC6A9_HUMAN
20
44%
0.440
PF13520
58 -
(0)
3
- / - / -
0
14
SC6A8_HUMAN
20
45%
0.381
PF13520
C8_S1
59 -
(0)
5
- /
1
/
4
0
15
S6A13_HUMAN
20
46%
0.427
PF13520
C8_S1
75 -
(0)
7
- / - /
1
1
16
SC6A2_HUMAN
20
59%
0.409
PF13520
C5_S1
51 -
(0)
9
- /
2
/
3
4
17
SC6A3_HUMAN
20
55%
0.401
PF13520
C6_S1
43 -
(0)
8
- /
1
/
5
3
18
NAC3_HUMAN
20
97%
0.456
PF01699
4 -
(0)
1
- / - / -
0
19
S6A18_HUMAN
20
37%
0.395
PF13520
43 -
(0)
?
- / - / -
0
20
S6A17_HUMAN
20
46%
0.422
PF06596
79 -
(0)
?
- / - / -
0
21
SC6A5_HUMAN
20
46%
0.387
PF13520
C6_S1
43 -
(0)
3
- / - /
2
0
22
SC6A4_HUMAN
20
53%
0.483
PF13520
C6_S1
37 -
(0)
13
- /
6
/
8
6
23
S27A3_HUMAN
20
27%
0.405
PF13193
C1_S1
54 -
(23)
2
- /
2
/ -
2
24
S27A2_HUMAN
20
24%
0.487
PF13193
46 -
(19)
?
- / - / -
0
25
S6A12_HUMAN
20
47%
0.427
PF13520
71 -
(0)
1
- / - / -
0
26
S6A11_HUMAN
20
46%
0.367
PF13520
50 -
(0)
?
- / - / -
0
27
SC6A1_HUMAN
20
46%
0.450
PF13520
C4_S1
55 -
(0)
3
- / - /
1
0
28
SLC31_HUMAN
20
38%
0.381
PF00128
34 -
(0)
?
- / - / -
0
29
S6A14_HUMAN
20
44%
0.402
PF13520
C4_S1
76 -
(0)
8
- / - /
7
1
30
S27A5_HUMAN
20
26%
0.477
PF13193
51 -
(21)
?
- / - / -
0
31
SC6A6_HUMAN
20
47%
0.374
PF13520
60 -
(0)
1
- / - / -
0
32
S27A4_HUMAN
20
26%
0.466
PF13193
C4_S1
62 -
(27)
1
- /
1
/ -
1
33
SC6A7_HUMAN
20
47%
0.440
PF13520
C6_S1
68 -
(0)
15
- / - /
10
2
34
GTR7_HUMAN
19
43%
0.377
PF00083
15 -
(0)
?
- / - / -
0
35
GTR3_HUMAN
19
99%
0.444
PF00083
15 -
(0)
2
- / - / -
0
36
GTR14_HUMAN
19
94%
0.402
PF00083
15 -
(0)
2
- / - / -
0
37
S6A19_HUMAN
19
50%
0.332
PF13520
64 -
(0)
?
- / - / -
0
38
SL9C2_HUMAN
18
31%
0.495
PF00325
3 -
(0)
?
- / - / -
0
39
B3AT_HUMAN
18
100%
0.538
PF00955
4 -
(0)
2
- / - / -
0
40
GTR2_HUMAN
18
52%
0.446
PF00083
C1_S1
15 -
(0)
1
- / - /
1
0
41
MYCT_HUMAN
18
43%
0.320
PF00083
16 -
(0)
?
- / - / -
0
42
B3A3_HUMAN
18
89%
0.486
PF00955
5 -
(0)
1
- / - / -
0
43
S6A20_HUMAN
18
36%
0.419
PF13520
48 -
(0)
?
- / - / -
0
44
GTR4_HUMAN
18
64%
0.412
PF00083
15 -
(0)
2
- / - / -
0
45
GTR10_HUMAN
18
33%
0.348
PF00083
C2_S1
12 -
(0)
?
- / - /
1
0
46
S6A16_HUMAN
17
33%
0.322
PF13520
63 -
(0)
?
- / - / -
0
47
GTR11_HUMAN
17
43%
0.383
PF00083
15 -
(0)
?
- / - / -
0
48
GTR5_HUMAN
17
54%
0.349
PF00083
15 -
(0)
?
- / - / -
0
49
S15A1_HUMAN
17
32%
0.081
PF07690
21 -
(0)
?
- / - / -
0
50
GTR8_HUMAN
17
42%
0.388
PF07690
15 -
(0)
?
- / - / -
0
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