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
S6A16_HUMAN
17
33%
0.322
PF13520
63 -
(0)
?
- / - / -
0
51
GTR12_HUMAN
17
37%
0.362
PF07690
14 -
(0)
?
- / - / -
0
52
ADT4_HUMAN
16
73%
0.255
PF00153
C3_S1
28 -
(0)
3
- / - /
4
1
53
SL9C1_HUMAN
16
38%
0.397
PF00027
13 -
(0)
?
- / - / -
0
54
NADAP_HUMAN
16
100%
0.648
PF00498
6 -
(0)
?
- / - / -
0
55
GTR9_HUMAN
16
38%
0.398
PF00083
C3_S1
13 -
(0)
2
- / - /
1
0
56
S15A2_HUMAN
15
30%
0.242
PF07690
24 -
(0)
?
- / - / -
0
57
S4A4_HUMAN
15
55%
0.353
PF00955
3 -
(0)
0
- / - / -
0
58
GTR6_HUMAN
15
35%
0.390
PF00083
12 -
(0)
?
- / - / -
0
59
S4A8_HUMAN
15
58%
0.452
PF00115
4 -
(0)
?
- / - / -
0
60
4F2_HUMAN
15
100%
0.613
PF00128
12 -
(0)
?
- / - / -
0
61
S4A10_HUMAN
15
60%
0.443
PF00955
3 -
(0)
?
- / - / -
0
62
NHRF1_HUMAN
14
100%
0.515
PF00595
43 -
(0)
?
- / - / -
0
63
ADT2_HUMAN
14
90%
0.197
PF00153
C4_S1
28 -
(0)
3
- /
3
/
2
1
64
S27A6_HUMAN
14
31%
0.393
PF13193
C2_S1
53 -
(23)
1
- / - /
1
1
65
ADT1_HUMAN
14
96%
0.241
PF00153
C5_S1
28 -
(0)
3
- /
3
/
2
1
66
B3A2_HUMAN
14
100%
0.511
PF00955
5 -
(0)
?
- / - / -
0
67
B3A4_HUMAN
14
51%
0.252
PF00955
3 -
(0)
?
- / - / -
0
68
S4A7_HUMAN
14
58%
0.377
PF00955
3 -
(0)
0
- / - / -
0
69
ADT3_HUMAN
14
90%
0.217
PF00153
C5_S1
28 -
(0)
3
- / - /
9
1
70
GHC2_HUMAN
14
36%
0.172
PF00153
25 -
(0)
?
- / - / -
0
71
S26A2_HUMAN
13
34%
0.384
PF01740
4 -
(0)
?
- / - / -
0
72
UCP4_HUMAN
13
35%
0.206
PF00153
17 -
(0)
?
- / - / -
0
73
S2611_HUMAN
13
31%
0.408
PF01740
6 -
(0)
?
- / - / -
0
74
UCP3_HUMAN
13
73%
0.010
PF00153
16 -
(0)
?
- / - / -
0
75
S18B1_HUMAN
13
39%
0.284
PF07690
4 -
(0)
?
- / - / -
0
76
GHC1_HUMAN
13
26%
0.192
PF00153
24 -
(0)
?
- / - / -
0
77
UCP1_HUMAN
13
58%
0.018
PF00153
23 -
(0)
1
- / - / -
0
78
SPX2_HUMAN
13
30%
0.310
PF07690
4 -
(0)
?
- / - / -
0
79
S26A1_HUMAN
13
35%
0.290
PF01740
4 -
(0)
?
- / - / -
0
80
S26A5_HUMAN
13
91%
0.337
PF01740
4 -
(0)
?
- / - / -
0
81
MOT1_HUMAN
13
30%
0.282
PF07690
2 -
(0)
?
- / - / -
0
82
NHRF2_HUMAN
13
100%
0.765
PF00595
47 -
(0)
1
- / - / -
0
83
S4A5_HUMAN
13
36%
0.414
PF00955
6 -
(0)
?
- / - / -
0
84
MOT11_HUMAN
12
29%
0.187
PF07690
1 -
(0)
?
- / - / -
0
85
TPC_HUMAN
12
41%
0.176
PF00153
19 -
(0)
?
- / - / -
0
86
S26A9_HUMAN
12
43%
0.238
PF01740
3 -
(0)
?
- / - / -
0
87
GLPT_HUMAN
12
44%
0.253
PF07690
3 -
(0)
?
- / - / -
0
88
MFTC_HUMAN
12
29%
0.222
PF00153
20 -
(0)
?
- / - / -
0
89
PCFT_HUMAN
12
33%
0.333
PF07690
4 -
(0)
?
- / - / -
0
90
SPX3_HUMAN
12
28%
0.305
PF07690
2 -
(0)
?
- / - / -
0
91
VGLU2_HUMAN
12
15%
0.197
PF07690
2 -
(0)
?
- / - / -
0
92
VGLU3_HUMAN
12
30%
0.243
PF07690
4 -
(0)
?
- / - / -
0
93
MOT12_HUMAN
12
36%
0.314
PF07690
6 -
(0)
?
- / - / -
0
94
S2536_HUMAN
12
32%
0.211
PF00153
19 -
(0)
?
- / - / -
0
95
S4A11_HUMAN
12
21%
0.332
PF00359
4 -
(0)
?
- / - / -
0
96
S22A2_HUMAN
12
36%
0.286
PF00083
12 -
(0)
?
- / - / -
0
97
MOT5_HUMAN
11
29%
0.288
PF07690
6 -
(0)
?
- / - / -
0
98
S2543_HUMAN
11
39%
0.128
PF00153
20 -
(0)
?
- / - / -
0
99
MCAT_HUMAN
11
27%
0.181
PF00153
19 -
(0)
?
- / - / -
0
100
S46A3_HUMAN
11
26%
0.192
PF07690
3 -
(0)
?
- / - / -
0
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