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
S22A2_HUMAN
12
36%
0.286
PF00083
12 -
(0)
?
- / - / -
0
51
OSTB_HUMAN
0
52%
0.275
PF01193
2 -
(0)
?
- / - / -
0
52
SPX3_HUMAN
12
28%
0.305
PF07690
2 -
(0)
?
- / - / -
0
53
MFTC_HUMAN
12
29%
0.222
PF00153
20 -
(0)
?
- / - / -
0
54
S35G1_HUMAN
0
35%
-0.060
PF07885
3 -
(0)
?
- / - / -
0
55
S15A1_HUMAN
17
32%
0.081
PF07690
21 -
(0)
?
- / - / -
0
56
S39A3_HUMAN
0
59%
0.075
PF00144
5 -
(0)
?
- / - / -
0
57
GHC2_HUMAN
14
36%
0.172
PF00153
25 -
(0)
?
- / - / -
0
58
S22AB_HUMAN
5
43%
0.309
PF00083
12 -
(0)
?
- / - / -
0
59
SOAT_HUMAN
5
34%
0.261
PF03936
117 -
(0)
?
- / - / -
0
60
S20A1_HUMAN
0
34%
0.275
PF00737
0 -
(0)
?
- / - / -
0
61
GTR6_HUMAN
15
35%
0.390
PF00083
12 -
(0)
?
- / - / -
0
62
S35D3_HUMAN
0
29%
0.162
PF00775
0 -
(0)
?
- / - / -
0
63
SC5A3_HUMAN
8
38%
0.356
PF00067
3 -
(0)
?
- / - / -
0
64
MOT6_HUMAN
10
30%
0.318
PF07690
16 -
(0)
?
- / - / -
0
65
S38AB_HUMAN
5
19%
0.206
PF13520
3 -
(0)
?
- / - / -
0
66
GTR5_HUMAN
17
54%
0.349
PF00083
15 -
(0)
?
- / - / -
0
67
LAT4_HUMAN
10
26%
0.136
PF07690
2 -
(0)
?
- / - / -
0
68
HRG1_HUMAN
0
37%
0.111
PF00909
0 -
(0)
?
- / - / -
0
69
S29A3_HUMAN
0
36%
0.382
PF05053
13 -
(0)
?
- / - / -
0
70
SO1B1_HUMAN
9
17%
0.144
PF07690
2 -
(0)
?
- / - / -
0
71
S39AB_HUMAN
0
36%
0.021
PF10215
9 -
(0)
?
- / - / -
0
72
S35D2_HUMAN
2
34%
-0.147
PF00893
1 -
(0)
?
- / - / -
0
73
S35F5_HUMAN
0
29%
0.209
PF00069
0 -
(0)
?
- / - / -
0
74
S13A4_HUMAN
1
34%
0.195
PF01177
2 -
(0)
?
- / - / -
0
75
ORNT2_HUMAN
6
61%
0.201
PF00153
19 -
(0)
?
- / - / -
0
76
S2533_HUMAN
6
36%
0.168
PF00153
24 -
(0)
?
- / - / -
0
77
SWET1_HUMAN
0
46%
0.344
PF10432
7 -
(6)
?
- / - / -
0
78
S26A5_HUMAN
13
91%
0.337
PF01740
4 -
(0)
?
- / - / -
0
79
S35A3_HUMAN
1
31%
0.294
PF01044
1 -
(0)
?
- / - / -
0
80
NCKX3_HUMAN
3
30%
0.206
PF01699
10 -
(0)
?
- / - / -
0
81
S19A3_HUMAN
5
32%
0.230
PF07690
3 -
(0)
?
- / - / -
0
82
S2610_HUMAN
3
28%
0.405
PF01740
6 -
(0)
?
- / - / -
0
83
OSCP1_HUMAN
0
47%
0.268
PF00179
3 -
(0)
?
- / - / -
0
84
OSTA_HUMAN
0
15%
0.082
PF01036
7 -
(0)
?
- / - / -
0
85
S35G6_HUMAN
1
52%
0.097
PF04960
1 -
(0)
?
- / - / -
0
86
SC5AB_HUMAN
10
32%
0.307
PF00474
2 -
(0)
?
- / - / -
0
87
SL9A7_HUMAN
3
68%
0.283
PF00999
3 -
(0)
?
- / - / -
0
88
SC5AA_HUMAN
9
50%
0.291
PF00474
2 -
(0)
?
- / - / -
0
89
S6A19_HUMAN
19
50%
0.332
PF13520
64 -
(0)
?
- / - / -
0
90
S38A6_HUMAN
4
30%
0.253
PF00584
1 -
(0)
?
- / - / -
0
91
S2547_HUMAN
7
43%
0.007
PF02932
29 -
(0)
?
- / - / -
0
92
S22A9_HUMAN
7
43%
0.319
PF00083
12 -
(0)
?
- / - / -
0
93
S35A1_HUMAN
2
27%
0.175
PF00234
1 -
(0)
?
- / - / -
0
94
SC5A1_HUMAN
6
34%
0.333
PF00474
2 -
(0)
?
- / - / -
0
95
UCP3_HUMAN
13
73%
0.010
PF00153
16 -
(0)
?
- / - / -
0
96
S35F6_HUMAN
0
35%
0.234
PF02038
2 -
(0)
?
- / - / -
0
97
S52A1_HUMAN
1
33%
0.462
PF00014
0 -
(0)
?
- / - / -
0
98
UCP5_HUMAN
11
38%
0.154
PF00153
25 -
(0)
?
- / - / -
0
99
SCMC1_HUMAN
10
100%
0.767
PF13499
8 -
(0)
?
- / - / -
0
100
CTL4_HUMAN
0
31%
0.185
PF07992
1 -
(1)
?
- / - / -
0
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