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
S35B4_HUMAN
1
38%
0.443
PF00893
1 -
(1)
?
- / - / -
0
51
S26A3_HUMAN
10
36%
0.293
PF00230
8 -
(2)
?
- / - / -
0
52
S27A5_HUMAN
20
26%
0.477
PF13193
51 -
(21)
?
- / - / -
0
53
GTR12_HUMAN
17
37%
0.362
PF07690
14 -
(0)
?
- / - / -
0
54
S35G2_HUMAN
0
30%
0.217
PF02038
1 -
(0)
?
- / - / -
0
55
S22A1_HUMAN
4
27%
0.304
PF00083
12 -
(0)
?
- / - / -
0
56
S20A2_HUMAN
0
37%
0.110
PF02055
6 -
(0)
?
- / - / -
0
57
ZNT6_HUMAN
5
25%
0.256
PF01545
0 -
(0)
?
- / - / -
0
58
S35F3_HUMAN
1
47%
0.363
PF07690
1 -
(0)
?
- / - / -
0
59
MOT12_HUMAN
12
36%
0.314
PF07690
6 -
(0)
?
- / - / -
0
60
S26A1_HUMAN
13
35%
0.290
PF01740
4 -
(0)
?
- / - / -
0
61
SL9A6_HUMAN
2
68%
0.371
PF00999
150 -
(0)
?
- / - / -
0
62
S19A2_HUMAN
10
25%
0.258
PF07690
4 -
(0)
?
- / - / -
0
63
S7A6O_HUMAN
0
34%
0.502
PF04135
3 -
(0)
?
- / - / -
0
64
S15A1_HUMAN
17
32%
0.081
PF07690
21 -
(0)
?
- / - / -
0
65
VGLU1_HUMAN
11
15%
0.182
PF07690
2 -
(0)
?
- / - / -
0
66
NHRF1_HUMAN
14
100%
0.515
PF00595
43 -
(0)
?
- / - / -
0
67
ORNT2_HUMAN
6
61%
0.201
PF00153
19 -
(0)
?
- / - / -
0
68
SO1B1_HUMAN
9
17%
0.144
PF07690
2 -
(0)
?
- / - / -
0
69
S35G1_HUMAN
0
35%
-0.060
PF07885
3 -
(0)
?
- / - / -
0
70
S26A2_HUMAN
13
34%
0.384
PF01740
4 -
(0)
?
- / - / -
0
71
S22AK_HUMAN
8
41%
0.267
PF00083
8 -
(0)
?
- / - / -
0
72
ZNT5_HUMAN
8
36%
0.256
PF01545
1 -
(0)
?
- / - / -
0
73
SL9B2_HUMAN
2
36%
0.337
PF02774
7 -
(0)
?
- / - / -
0
74
S36A1_HUMAN
4
18%
0.232
PF13520
4 -
(0)
?
- / - / -
0
75
VMAT2_HUMAN
10
61%
0.227
PF07690
6 -
(0)
?
- / - / -
0
76
S35B3_HUMAN
0
39%
-0.033
PF14785
1 -
(0)
?
- / - / -
0
77
S39AA_HUMAN
0
33%
0.783
PF13499
4 -
(0)
?
- / - / -
0
78
S18B1_HUMAN
13
39%
0.284
PF07690
4 -
(0)
?
- / - / -
0
79
SO5A1_HUMAN
9
25%
0.194
PF07690
3 -
(0)
?
- / - / -
0
80
SL9A9_HUMAN
4
64%
0.281
PF00999
6 -
(0)
?
- / - / -
0
81
S45A4_HUMAN
10
23%
0.113
PF07690
2 -
(0)
?
- / - / -
0
82
S2539_HUMAN
7
28%
0.188
PF00153
18 -
(0)
?
- / - / -
0
83
SC5A8_HUMAN
7
36%
0.287
PF00474
3 -
(0)
?
- / - / -
0
84
S22AP_HUMAN
10
50%
0.273
PF00083
8 -
(0)
?
- / - / -
0
85
CMC2_HUMAN
8
92%
0.596
PF13499
6 -
(0)
?
- / - / -
0
86
UCP5_HUMAN
11
38%
0.154
PF00153
25 -
(0)
?
- / - / -
0
87
SL9B1_HUMAN
2
30%
0.332
PF00999
2 -
(0)
?
- / - / -
0
88
SC5AB_HUMAN
10
32%
0.307
PF00474
2 -
(0)
?
- / - / -
0
89
S39A3_HUMAN
0
59%
0.075
PF00144
5 -
(0)
?
- / - / -
0
90
SO4C1_HUMAN
10
19%
0.167
PF07690
1 -
(0)
?
- / - / -
0
91
OSCP1_HUMAN
0
47%
0.268
PF00179
3 -
(0)
?
- / - / -
0
92
S39A1_HUMAN
0
41%
0.371
PF02525
14 -
(12)
?
- / - / -
0
93
S28A2_HUMAN
10
38%
0.394
PF00584
12 -
(0)
?
- / - / -
0
94
LAT1_HUMAN
6
25%
0.304
PF13520
6 -
(0)
?
- / - / -
0
95
S52A1_HUMAN
1
33%
0.462
PF00014
0 -
(0)
?
- / - / -
0
96
S13A1_HUMAN
1
27%
0.205
PF00283
0 -
(0)
?
- / - / -
0
97
S12A4_HUMAN
5
30%
0.318
PF01168
8 -
(8)
?
- / - / -
0
98
S22A7_HUMAN
6
56%
0.245
PF00083
15 -
(0)
?
- / - / -
0
99
NCKX4_HUMAN
3
26%
0.183
PF01699
11 -
(0)
?
- / - / -
0
100
S38A9_HUMAN
4
17%
0.283
PF08715
2 -
(0)
?
- / - / -
0
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