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
SC6A4_HUMAN
20
53%
0.483
PF13520
C6_S1
37 -
(0)
13
- /
6
/
8
6
2
SC6A2_HUMAN
20
59%
0.409
PF13520
C5_S1
51 -
(0)
9
- /
2
/
3
4
3
SC6A3_HUMAN
20
55%
0.401
PF13520
C6_S1
43 -
(0)
8
- /
1
/
5
3
4
EAA4_HUMAN
28
38%
0.280
PF00873
C3_S1
22 -
(0)
4
- / - /
22
2
5
S27A1_HUMAN
20
38%
0.489
PF13193
C4_S1
54 -
(26)
2
- /
2
/ -
2
6
EAA2_HUMAN
33
35%
0.353
PF08037
C7_S1
23 -
(0)
4
- / - /
22
2
7
SC6A7_HUMAN
20
47%
0.440
PF13520
C6_S1
68 -
(0)
15
- / - /
10
2
8
SATT_HUMAN
36
47%
0.345
PF04608
C8_S1
22 -
(0)
4
- / - /
21
2
9
EAA3_HUMAN
32
35%
0.287
PF00873
C13_S1
22 -
(0)
4
- / - /
22
2
10
S27A3_HUMAN
20
27%
0.405
PF13193
C1_S1
54 -
(23)
2
- /
2
/ -
2
11
EAA5_HUMAN
35
37%
0.296
PF00873
C4_S1
22 -
(0)
4
- / - /
22
2
12
AAAT_HUMAN
36
50%
0.318
PF00873
C4_S1
22 -
(0)
4
- / - /
21
2
13
EAA1_HUMAN
34
35%
0.355
PF00873
C6_S1
22 -
(0)
4
- / - /
22
2
14
ADT1_HUMAN
14
96%
0.241
PF00153
C5_S1
28 -
(0)
3
- /
3
/
2
1
15
S6A14_HUMAN
20
44%
0.402
PF13520
C4_S1
76 -
(0)
8
- / - /
7
1
16
S6A13_HUMAN
20
46%
0.427
PF13520
C8_S1
75 -
(0)
7
- / - /
1
1
17
S27A6_HUMAN
14
31%
0.393
PF13193
C2_S1
53 -
(23)
1
- / - /
1
1
18
UT2_HUMAN
9
63%
0.480
PF03253
C2_S1
15 -
(0)
2
- /
1
/
2
1
19
ADT3_HUMAN
14
90%
0.217
PF00153
C5_S1
28 -
(0)
3
- / - /
9
1
20
ADT2_HUMAN
14
90%
0.197
PF00153
C4_S1
28 -
(0)
3
- /
3
/
2
1
21
S27A4_HUMAN
20
26%
0.466
PF13193
C4_S1
62 -
(27)
1
- /
1
/ -
1
22
ADT4_HUMAN
16
73%
0.255
PF00153
C3_S1
28 -
(0)
3
- / - /
4
1
23
S22A7_HUMAN
6
56%
0.245
PF00083
15 -
(0)
?
- / - / -
0
24
OSCP1_HUMAN
0
47%
0.268
PF00179
3 -
(0)
?
- / - / -
0
25
S4A4_HUMAN
15
55%
0.353
PF00955
3 -
(0)
0
- / - / -
0
26
MOT8_HUMAN
9
24%
0.244
PF07690
12 -
(0)
?
- / - / -
0
27
SO2B1_HUMAN
10
20%
0.223
PF07690
3 -
(0)
?
- / - / -
0
28
VGLU3_HUMAN
12
30%
0.243
PF07690
4 -
(0)
?
- / - / -
0
29
S22A8_HUMAN
8
43%
0.333
PF00083
12 -
(2)
?
- / - / -
0
30
S35F4_HUMAN
1
45%
0.094
PF00556
3 -
(0)
?
- / - / -
0
31
MOT6_HUMAN
10
30%
0.318
PF07690
16 -
(0)
?
- / - / -
0
32
S12A3_HUMAN
4
16%
0.466
PF00582
7 -
(0)
?
- / - / -
0
33
S2547_HUMAN
7
43%
0.007
PF02932
29 -
(0)
?
- / - / -
0
34
SL9A3_HUMAN
5
84%
0.294
PF00999
5 -
(0)
?
- / - / -
0
35
MFTC_HUMAN
12
29%
0.222
PF00153
20 -
(0)
?
- / - / -
0
36
NPT2B_HUMAN
0
44%
0.435
PF01741
0 -
(0)
?
- / - / -
0
37
GLPT_HUMAN
12
44%
0.253
PF07690
3 -
(0)
?
- / - / -
0
38
SOAT_HUMAN
5
34%
0.261
PF03936
117 -
(0)
?
- / - / -
0
39
MCATL_HUMAN
11
38%
0.111
PF00153
19 -
(0)
?
- / - / -
0
40
ACATN_HUMAN
7
13%
0.276
PF07690
2 -
(0)
?
- / - / -
0
41
NTCP4_HUMAN
0
35%
0.227
PF07654
1 -
(0)
?
- / - / -
0
42
S35G4_HUMAN
0
29%
0.115
PF02430
0 -
(0)
?
- / - / -
0
43
P3_HUMAN
5
29%
0.297
PF06965
11 -
(0)
?
- / - / -
0
44
GTR1_HUMAN
20
99%
0.411
PF00083
C1_S1
13 -
(0)
2
- / - /
1
0
45
S15A3_HUMAN
6
31%
0.360
PF07690
17 -
(0)
?
- / - / -
0
46
LAT4_HUMAN
10
26%
0.136
PF07690
2 -
(0)
?
- / - / -
0
47
NRAM1_HUMAN
6
35%
0.286
PF07885
1 -
(0)
?
- / - / -
0
48
LAT3_HUMAN
7
43%
0.195
PF07690
4 -
(0)
?
- / - / -
0
49
S13A3_HUMAN
1
36%
0.188
PF02774
2 -
(0)
?
- / - / -
0
50
S22AO_HUMAN
8
43%
0.233
PF07690
2 -
(0)
?
- / - / -
0
<<
Page
1
2
3
4
5
6
7
8
/ 8
>>
- Show
50
100
250
500
All