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
S4A4_HUMAN
15
55%
0.353
PF00955
3 -
(0)
0
- / - / -
0
51
GTR5_HUMAN
17
54%
0.349
PF00083
15 -
(0)
?
- / - / -
0
52
SC6A4_HUMAN
20
53%
0.483
PF13520
C6_S1
37 -
(0)
13
- /
6
/
8
6
53
S43A3_HUMAN
10
52%
0.252
PF00069
7 -
(0)
?
- / - / -
0
54
OSTB_HUMAN
0
52%
0.275
PF01193
2 -
(0)
?
- / - / -
0
55
S35G6_HUMAN
1
52%
0.097
PF04960
1 -
(0)
?
- / - / -
0
56
GTR2_HUMAN
18
52%
0.446
PF00083
C1_S1
15 -
(0)
1
- / - /
1
0
57
S22A3_HUMAN
6
52%
0.248
PF00083
12 -
(0)
?
- / - / -
0
58
B3A4_HUMAN
14
51%
0.252
PF00955
3 -
(0)
?
- / - / -
0
59
S2546_HUMAN
6
50%
0.251
PF00153
12 -
(0)
?
- / - / -
0
60
S6A19_HUMAN
19
50%
0.332
PF13520
64 -
(0)
?
- / - / -
0
61
S22AP_HUMAN
10
50%
0.273
PF00083
8 -
(0)
?
- / - / -
0
62
SC5A2_HUMAN
9
50%
0.314
PF00474
3 -
(0)
?
- / - / -
0
63
S22AD_HUMAN
5
50%
0.298
PF07690
15 -
(0)
?
- / - / -
0
64
S22AF_HUMAN
6
50%
0.226
PF07690
12 -
(0)
?
- / - / -
0
65
S15A4_HUMAN
7
50%
0.407
PF07690
20 -
(0)
?
- / - / -
0
66
SCMC3_HUMAN
11
50%
0.633
PF13499
7 -
(0)
?
- / - / -
0
67
SC5AA_HUMAN
9
50%
0.291
PF00474
2 -
(0)
?
- / - / -
0
68
AAAT_HUMAN
36
50%
0.318
PF00873
C4_S1
22 -
(0)
4
- / - /
21
2
69
VACHT_HUMAN
11
48%
0.261
PF07690
5 -
(0)
?
- / - / -
0
70
S35E4_HUMAN
0
48%
0.057
PF00106
4 -
(4)
?
- / - / -
0
71
S6A12_HUMAN
20
47%
0.427
PF13520
71 -
(0)
1
- / - / -
0
72
SC6A6_HUMAN
20
47%
0.374
PF13520
60 -
(0)
1
- / - / -
0
73
OSCP1_HUMAN
0
47%
0.268
PF00179
3 -
(0)
?
- / - / -
0
74
SC6A7_HUMAN
20
47%
0.440
PF13520
C6_S1
68 -
(0)
15
- / - /
10
2
75
S35F3_HUMAN
1
47%
0.363
PF07690
1 -
(0)
?
- / - / -
0
76
SATT_HUMAN
36
47%
0.345
PF04608
C8_S1
22 -
(0)
4
- / - /
21
2
77
KMCP1_HUMAN
11
46%
0.167
PF00153
16 -
(0)
?
- / - / -
0
78
SC6A5_HUMAN
20
46%
0.387
PF13520
C6_S1
43 -
(0)
3
- / - /
2
0
79
SC6A1_HUMAN
20
46%
0.450
PF13520
C4_S1
55 -
(0)
3
- / - /
1
0
80
SWET1_HUMAN
0
46%
0.344
PF10432
7 -
(6)
?
- / - / -
0
81
S6A13_HUMAN
20
46%
0.427
PF13520
C8_S1
75 -
(0)
7
- / - /
1
1
82
S6A11_HUMAN
20
46%
0.367
PF13520
50 -
(0)
?
- / - / -
0
83
S6A17_HUMAN
20
46%
0.422
PF06596
79 -
(0)
?
- / - / -
0
84
S38A2_HUMAN
4
45%
0.335
PF13520
3 -
(0)
?
- / - / -
0
85
S35F4_HUMAN
1
45%
0.094
PF00556
3 -
(0)
?
- / - / -
0
86
SC6A8_HUMAN
20
45%
0.381
PF13520
C8_S1
59 -
(0)
5
- /
1
/
4
0
87
S6A15_HUMAN
20
45%
0.323
PF06596
57 -
(0)
?
- / - / -
0
88
NTCP7_HUMAN
1
45%
0.355
PF00005
11 -
(0)
?
- / - / -
0
89
ZNT3_HUMAN
6
45%
0.234
PF01545
2 -
(0)
?
- / - / -
0
90
SC6A9_HUMAN
20
44%
0.440
PF13520
58 -
(0)
3
- / - / -
0
91
GLPT_HUMAN
12
44%
0.253
PF07690
3 -
(0)
?
- / - / -
0
92
S6A14_HUMAN
20
44%
0.402
PF13520
C4_S1
76 -
(0)
8
- / - /
7
1
93
S23A2_HUMAN
3
44%
0.328
PF05464
8 -
(0)
?
- / - / -
0
94
NPT2B_HUMAN
0
44%
0.435
PF01741
0 -
(0)
?
- / - / -
0
95
SC5AC_HUMAN
7
43%
0.254
PF00474
3 -
(0)
?
- / - / -
0
96
GTR7_HUMAN
19
43%
0.377
PF00083
15 -
(0)
?
- / - / -
0
97
S22A5_HUMAN
1
43%
0.213
PF07690
14 -
(0)
?
- / - / -
0
98
S28A1_HUMAN
10
43%
0.389
PF01568
12 -
(0)
?
- / - / -
0
99
S22A8_HUMAN
8
43%
0.333
PF00083
12 -
(2)
?
- / - / -
0
100
S35E3_HUMAN
0
43%
-0.038
PF02038
0 -
(0)
?
- / - / -
0
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