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
S39AA_HUMAN
0
33%
0.783
PF13499
4 -
(0)
?
- / - / -
0
2
SCMC1_HUMAN
10
100%
0.767
PF13499
8 -
(0)
?
- / - / -
0
3
NHRF2_HUMAN
13
100%
0.765
PF00595
47 -
(0)
1
- / - / -
0
4
NADAP_HUMAN
16
100%
0.648
PF00498
6 -
(0)
?
- / - / -
0
5
SCMC3_HUMAN
11
50%
0.633
PF13499
7 -
(0)
?
- / - / -
0
6
NAC1_HUMAN
21
98%
0.616
PF01699
5 -
(0)
1
- / - / -
0
7
4F2_HUMAN
15
100%
0.613
PF00128
12 -
(0)
?
- / - / -
0
8
SCMC2_HUMAN
6
64%
0.608
PF13499
7 -
(0)
?
- / - / -
0
9
CMC1_HUMAN
7
100%
0.597
PF13499
8 -
(0)
?
- / - / -
0
10
CMC2_HUMAN
8
92%
0.596
PF13499
6 -
(0)
?
- / - / -
0
11
RSCA1_HUMAN
2
31%
0.580
PF00627
0 -
(0)
?
- / - / -
0
12
B3AT_HUMAN
18
100%
0.538
PF00955
4 -
(0)
2
- / - / -
0
13
S26A4_HUMAN
8
36%
0.519
PF01740
3 -
(0)
?
- / - / -
0
14
NHRF1_HUMAN
14
100%
0.515
PF00595
43 -
(0)
?
- / - / -
0
15
B3A2_HUMAN
14
100%
0.511
PF00955
5 -
(0)
?
- / - / -
0
16
S7A6O_HUMAN
0
34%
0.502
PF04135
3 -
(0)
?
- / - / -
0
17
UT1_HUMAN
9
79%
0.499
PF03253
C3_S1
15 -
(0)
1
- / - /
2
0
18
SL9C2_HUMAN
18
31%
0.495
PF00325
3 -
(0)
?
- / - / -
0
19
S27A1_HUMAN
20
38%
0.489
PF13193
C4_S1
54 -
(26)
2
- /
2
/ -
2
20
S27A2_HUMAN
20
24%
0.487
PF13193
46 -
(19)
?
- / - / -
0
21
B3A3_HUMAN
18
89%
0.486
PF00955
5 -
(0)
1
- / - / -
0
22
SC6A4_HUMAN
20
53%
0.483
PF13520
C6_S1
37 -
(0)
13
- /
6
/
8
6
23
UT2_HUMAN
9
63%
0.480
PF03253
C2_S1
15 -
(0)
2
- /
1
/
2
1
24
S27A5_HUMAN
20
26%
0.477
PF13193
51 -
(21)
?
- / - / -
0
25
S12A7_HUMAN
2
17%
0.475
PF00582
5 -
(0)
?
- / - / -
0
26
S27A4_HUMAN
20
26%
0.466
PF13193
C4_S1
62 -
(27)
1
- /
1
/ -
1
27
S12A3_HUMAN
4
16%
0.466
PF00582
7 -
(0)
?
- / - / -
0
28
S52A1_HUMAN
1
33%
0.462
PF00014
0 -
(0)
?
- / - / -
0
29
NAC3_HUMAN
20
97%
0.456
PF01699
4 -
(0)
1
- / - / -
0
30
S4A8_HUMAN
15
58%
0.452
PF00115
4 -
(0)
?
- / - / -
0
31
SC6A1_HUMAN
20
46%
0.450
PF13520
C4_S1
55 -
(0)
3
- / - /
1
0
32
GTR2_HUMAN
18
52%
0.446
PF00083
C1_S1
15 -
(0)
1
- / - /
1
0
33
GTR3_HUMAN
19
99%
0.444
PF00083
15 -
(0)
2
- / - / -
0
34
S4A10_HUMAN
15
60%
0.443
PF00955
3 -
(0)
?
- / - / -
0
35
S35B4_HUMAN
1
38%
0.443
PF00893
1 -
(1)
?
- / - / -
0
36
SC6A9_HUMAN
20
44%
0.440
PF13520
58 -
(0)
3
- / - / -
0
37
SC6A7_HUMAN
20
47%
0.440
PF13520
C6_S1
68 -
(0)
15
- / - /
10
2
38
S28A3_HUMAN
10
40%
0.439
PF00584
12 -
(0)
?
- / - / -
0
39
NPT2B_HUMAN
0
44%
0.435
PF01741
0 -
(0)
?
- / - / -
0
40
S6A12_HUMAN
20
47%
0.427
PF13520
71 -
(0)
1
- / - / -
0
41
S6A13_HUMAN
20
46%
0.427
PF13520
C8_S1
75 -
(0)
7
- / - /
1
1
42
S6A17_HUMAN
20
46%
0.422
PF06596
79 -
(0)
?
- / - / -
0
43
S6A20_HUMAN
18
36%
0.419
PF13520
48 -
(0)
?
- / - / -
0
44
S39AE_HUMAN
0
31%
0.419
PF13499
8 -
(0)
?
- / - / -
0
45
S4A5_HUMAN
13
36%
0.414
PF00955
6 -
(0)
?
- / - / -
0
46
GTR4_HUMAN
18
64%
0.412
PF00083
15 -
(0)
2
- / - / -
0
47
GTR1_HUMAN
20
99%
0.411
PF00083
C1_S1
13 -
(0)
2
- / - /
1
0
48
SC6A2_HUMAN
20
59%
0.409
PF13520
C5_S1
51 -
(0)
9
- /
2
/
3
4
49
S38A1_HUMAN
4
30%
0.408
PF13520
1 -
(0)
?
- / - / -
0
50
S2611_HUMAN
13
31%
0.408
PF01740
6 -
(0)
?
- / - / -
0
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