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]
50
S2611_HUMAN
13
31%
0.408
PF01740
6 -
(0)
?
- / - / -
0
51
S15A4_HUMAN
7
50%
0.407
PF07690
20 -
(0)
?
- / - / -
0
52
S27A3_HUMAN
20
27%
0.405
PF13193
C1_S1
54 -
(23)
2
- /
2
/ -
2
53
S2610_HUMAN
3
28%
0.405
PF01740
6 -
(0)
?
- / - / -
0
54
S6A14_HUMAN
20
44%
0.402
PF13520
C4_S1
76 -
(0)
8
- / - /
7
1
55
GTR14_HUMAN
19
94%
0.402
PF00083
15 -
(0)
2
- / - / -
0
56
SC6A3_HUMAN
20
55%
0.401
PF13520
C6_S1
43 -
(0)
8
- /
1
/
5
3
57
S12A9_HUMAN
11
42%
0.400
PF00582
4 -
(0)
?
- / - / -
0
58
GTR9_HUMAN
16
38%
0.398
PF00083
C3_S1
13 -
(0)
2
- / - /
1
0
59
SL9C1_HUMAN
16
38%
0.397
PF00027
13 -
(0)
?
- / - / -
0
60
S6A18_HUMAN
20
37%
0.395
PF13520
43 -
(0)
?
- / - / -
0
61
S26A6_HUMAN
10
36%
0.395
PF01867
14 -
(0)
?
- / - / -
0
62
S28A2_HUMAN
10
38%
0.394
PF00584
12 -
(0)
?
- / - / -
0
63
S27A6_HUMAN
14
31%
0.393
PF13193
C2_S1
53 -
(23)
1
- / - /
1
1
64
GTR6_HUMAN
15
35%
0.390
PF00083
12 -
(0)
?
- / - / -
0
65
S28A1_HUMAN
10
43%
0.389
PF01568
12 -
(0)
?
- / - / -
0
66
GTR8_HUMAN
17
42%
0.388
PF07690
15 -
(0)
?
- / - / -
0
67
SC6A5_HUMAN
20
46%
0.387
PF13520
C6_S1
43 -
(0)
3
- / - /
2
0
68
S26A2_HUMAN
13
34%
0.384
PF01740
4 -
(0)
?
- / - / -
0
69
GTR11_HUMAN
17
43%
0.383
PF00083
15 -
(0)
?
- / - / -
0
70
S29A3_HUMAN
0
36%
0.382
PF05053
13 -
(0)
?
- / - / -
0
71
SC6A8_HUMAN
20
45%
0.381
PF13520
C8_S1
59 -
(0)
5
- /
1
/
4
0
72
SLC31_HUMAN
20
38%
0.381
PF00128
34 -
(0)
?
- / - / -
0
73
GTR7_HUMAN
19
43%
0.377
PF00083
15 -
(0)
?
- / - / -
0
74
S4A7_HUMAN
14
58%
0.377
PF00955
3 -
(0)
0
- / - / -
0
75
S12A8_HUMAN
6
26%
0.376
PF13520
4 -
(0)
?
- / - / -
0
76
SC6A6_HUMAN
20
47%
0.374
PF13520
60 -
(0)
1
- / - / -
0
77
NAC2_HUMAN
21
68%
0.371
PF01699
4 -
(0)
1
- / - / -
0
78
SL9A6_HUMAN
2
68%
0.371
PF00999
150 -
(0)
?
- / - / -
0
79
S39A1_HUMAN
0
41%
0.371
PF02525
14 -
(12)
?
- / - / -
0
80
S6A11_HUMAN
20
46%
0.367
PF13520
50 -
(0)
?
- / - / -
0
81
S41A3_HUMAN
2
30%
0.366
PF03448
3 -
(0)
?
- / - / -
0
82
S12A2_HUMAN
7
34%
0.366
PF13520
4 -
(0)
?
- / - / -
0
83
LAT2_HUMAN
6
26%
0.366
PF13520
4 -
(0)
?
- / - / -
0
84
S26A7_HUMAN
10
27%
0.364
PF01740
4 -
(0)
?
- / - / -
0
85
S35F3_HUMAN
1
47%
0.363
PF07690
1 -
(0)
?
- / - / -
0
86
GTR12_HUMAN
17
37%
0.362
PF07690
14 -
(0)
?
- / - / -
0
87
S15A3_HUMAN
6
31%
0.360
PF07690
17 -
(0)
?
- / - / -
0
88
SC5A3_HUMAN
8
38%
0.356
PF00067
3 -
(0)
?
- / - / -
0
89
NTCP7_HUMAN
1
45%
0.355
PF00005
11 -
(0)
?
- / - / -
0
90
S38A4_HUMAN
4
29%
0.355
PF02932
3 -
(0)
?
- / - / -
0
91
EAA1_HUMAN
34
35%
0.355
PF00873
C6_S1
22 -
(0)
4
- / - /
22
2
92
SC5A6_HUMAN
5
35%
0.355
PF00274
8 -
(0)
?
- / - / -
0
93
EAA2_HUMAN
33
35%
0.353
PF08037
C7_S1
23 -
(0)
4
- / - /
22
2
94
S4A4_HUMAN
15
55%
0.353
PF00955
3 -
(0)
0
- / - / -
0
95
SL9A8_HUMAN
2
62%
0.351
PF00999
10 -
(0)
?
- / - / -
0
96
CTR4_HUMAN
7
32%
0.351
PF13520
13 -
(5)
?
- / - / -
0
97
GTR5_HUMAN
17
54%
0.349
PF00083
15 -
(0)
?
- / - / -
0
98
GTR10_HUMAN
18
33%
0.348
PF00083
C2_S1
12 -
(0)
?
- / - /
1
0
99
S12A6_HUMAN
6
27%
0.348
PF13520
5 -
(0)
?
- / - / -
0
100
SATT_HUMAN
36
47%
0.345
PF04608
C8_S1
22 -
(0)
4
- / - /
21
2
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