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
SL9A1_HUMAN
7
100%
0.287
PF00999
3 -
(0)
1
- / - / -
0
2
NHRF2_HUMAN
13
100%
0.765
PF00595
47 -
(0)
1
- / - / -
0
3
B3AT_HUMAN
18
100%
0.538
PF00955
4 -
(0)
2
- / - / -
0
4
CMC1_HUMAN
7
100%
0.597
PF13499
8 -
(0)
?
- / - / -
0
5
ZNT9_HUMAN
8
100%
0.211
PF00615
3 -
(0)
?
- / - / -
0
6
SCMC1_HUMAN
10
100%
0.767
PF13499
8 -
(0)
?
- / - / -
0
7
4F2_HUMAN
15
100%
0.613
PF00128
12 -
(0)
?
- / - / -
0
8
B3A2_HUMAN
14
100%
0.511
PF00955
5 -
(0)
?
- / - / -
0
9
NHRF1_HUMAN
14
100%
0.515
PF00595
43 -
(0)
?
- / - / -
0
10
COPT1_HUMAN
6
100%
0.071
PF00737
0 -
(0)
?
- / - / -
0
11
NADAP_HUMAN
16
100%
0.648
PF00498
6 -
(0)
?
- / - / -
0
12
GTR3_HUMAN
19
99%
0.444
PF00083
15 -
(0)
2
- / - / -
0
13
GTR1_HUMAN
20
99%
0.411
PF00083
C1_S1
13 -
(0)
2
- / - /
1
0
14
NAC1_HUMAN
21
98%
0.616
PF01699
5 -
(0)
1
- / - / -
0
15
NAC3_HUMAN
20
97%
0.456
PF01699
4 -
(0)
1
- / - / -
0
16
UCP2_HUMAN
11
96%
0.055
PF00153
19 -
(0)
?
- / - / -
0
17
ADT1_HUMAN
14
96%
0.241
PF00153
C5_S1
28 -
(0)
3
- /
3
/
2
1
18
SL9A4_HUMAN
3
95%
0.244
PF00999
4 -
(0)
?
- / - / -
0
19
GTR14_HUMAN
19
94%
0.402
PF00083
15 -
(0)
2
- / - / -
0
20
CMC2_HUMAN
8
92%
0.596
PF13499
6 -
(0)
?
- / - / -
0
21
S26A5_HUMAN
13
91%
0.337
PF01740
4 -
(0)
?
- / - / -
0
22
SL9A2_HUMAN
5
91%
0.286
PF00999
3 -
(0)
?
- / - / -
0
23
ADT3_HUMAN
14
90%
0.217
PF00153
C5_S1
28 -
(0)
3
- / - /
9
1
24
ADT2_HUMAN
14
90%
0.197
PF00153
C4_S1
28 -
(0)
3
- /
3
/
2
1
25
B3A3_HUMAN
18
89%
0.486
PF00955
5 -
(0)
1
- / - / -
0
26
SL9A5_HUMAN
6
88%
0.195
PF00999
2 -
(0)
?
- / - / -
0
27
SL9A3_HUMAN
5
84%
0.294
PF00999
5 -
(0)
?
- / - / -
0
28
UT1_HUMAN
9
79%
0.499
PF03253
C3_S1
15 -
(0)
1
- / - /
2
0
29
ADT4_HUMAN
16
73%
0.255
PF00153
C3_S1
28 -
(0)
3
- / - /
4
1
30
UCP3_HUMAN
13
73%
0.010
PF00153
16 -
(0)
?
- / - / -
0
31
SL9A6_HUMAN
2
68%
0.371
PF00999
150 -
(0)
?
- / - / -
0
32
NAC2_HUMAN
21
68%
0.371
PF01699
4 -
(0)
1
- / - / -
0
33
SL9A7_HUMAN
3
68%
0.283
PF00999
3 -
(0)
?
- / - / -
0
34
GTR4_HUMAN
18
64%
0.412
PF00083
15 -
(0)
2
- / - / -
0
35
SL9A9_HUMAN
4
64%
0.281
PF00999
6 -
(0)
?
- / - / -
0
36
SCMC2_HUMAN
6
64%
0.608
PF13499
7 -
(0)
?
- / - / -
0
37
UT2_HUMAN
9
63%
0.480
PF03253
C2_S1
15 -
(0)
2
- /
1
/
2
1
38
SL9A8_HUMAN
2
62%
0.351
PF00999
10 -
(0)
?
- / - / -
0
39
VMAT2_HUMAN
10
61%
0.227
PF07690
6 -
(0)
?
- / - / -
0
40
ORNT2_HUMAN
6
61%
0.201
PF00153
19 -
(0)
?
- / - / -
0
41
S4A10_HUMAN
15
60%
0.443
PF00955
3 -
(0)
?
- / - / -
0
42
S39A3_HUMAN
0
59%
0.075
PF00144
5 -
(0)
?
- / - / -
0
43
SC6A2_HUMAN
20
59%
0.409
PF13520
C5_S1
51 -
(0)
9
- /
2
/
3
4
44
UCP1_HUMAN
13
58%
0.018
PF00153
23 -
(0)
1
- / - / -
0
45
S4A8_HUMAN
15
58%
0.452
PF00115
4 -
(0)
?
- / - / -
0
46
S4A7_HUMAN
14
58%
0.377
PF00955
3 -
(0)
0
- / - / -
0
47
COPT2_HUMAN
0
57%
-0.025
PF02274
5 -
(0)
?
- / - / -
0
48
S22A7_HUMAN
6
56%
0.245
PF00083
15 -
(0)
?
- / - / -
0
49
SC6A3_HUMAN
20
55%
0.401
PF13520
C6_S1
43 -
(0)
8
- /
1
/
5
3
50
S4A4_HUMAN
15
55%
0.353
PF00955
3 -
(0)
0
- / - / -
0
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