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]
100
NCKX5_HUMAN
3
42%
0.274
PF01699
13 -
(0)
?
- / - / -
0
101
SC5A7_HUMAN
3
28%
0.297
PF00474
3 -
(0)
?
- / - / -
0
102
S7A14_HUMAN
4
36%
0.329
PF13520
4 -
(0)
?
- / - / -
0
103
PCFT_HUMAN
12
33%
0.333
PF07690
4 -
(0)
?
- / - / -
0
104
S6A18_HUMAN
20
37%
0.395
PF13520
43 -
(0)
?
- / - / -
0
105
S2539_HUMAN
7
28%
0.188
PF00153
18 -
(0)
?
- / - / -
0
106
S35F1_HUMAN
0
35%
0.251
PF00171
1 -
(0)
?
- / - / -
0
107
UCP5_HUMAN
11
38%
0.154
PF00153
25 -
(0)
?
- / - / -
0
108
SL9A9_HUMAN
4
64%
0.281
PF00999
6 -
(0)
?
- / - / -
0
109
S39A5_HUMAN
0
29%
0.092
PF13499
5 -
(0)
?
- / - / -
0
110
S45A2_HUMAN
10
36%
0.238
PF07690
2 -
(0)
?
- / - / -
0
111
LAT2_HUMAN
6
26%
0.366
PF13520
4 -
(0)
?
- / - / -
0
112
S22AP_HUMAN
10
50%
0.273
PF00083
8 -
(0)
?
- / - / -
0
113
YLAT1_HUMAN
5
25%
0.327
PF13520
5 -
(0)
?
- / - / -
0
114
S352B_HUMAN
0
27%
0.187
PF05639
3 -
(0)
?
- / - / -
0
115
CTL3_HUMAN
0
37%
0.152
PF06623
5 -
(0)
?
- / - / -
0
116
S39A8_HUMAN
0
34%
0.188
PF13499
4 -
(0)
?
- / - / -
0
117
GLPT_HUMAN
12
44%
0.253
PF07690
3 -
(0)
?
- / - / -
0
118
SCMC1_HUMAN
10
100%
0.767
PF13499
8 -
(0)
?
- / - / -
0
119
S13A2_HUMAN
1
38%
0.072
PF00293
2 -
(0)
?
- / - / -
0
120
S38A8_HUMAN
3
23%
0.234
PF13520
3 -
(0)
?
- / - / -
0
121
S38A3_HUMAN
4
21%
0.225
PF13520
4 -
(0)
?
- / - / -
0
122
GHC2_HUMAN
14
36%
0.172
PF00153
25 -
(0)
?
- / - / -
0
123
ZNT7_HUMAN
6
35%
0.242
PF01545
1 -
(0)
?
- / - / -
0
124
GTR8_HUMAN
17
42%
0.388
PF07690
15 -
(0)
?
- / - / -
0
125
S35A4_HUMAN
1
33%
0.064
PF11628
0 -
(0)
?
- / - / -
0
126
S26A2_HUMAN
13
34%
0.384
PF01740
4 -
(0)
?
- / - / -
0
127
NCKX4_HUMAN
3
26%
0.183
PF01699
11 -
(0)
?
- / - / -
0
128
MYCT_HUMAN
18
43%
0.320
PF00083
16 -
(0)
?
- / - / -
0
129
S39AC_HUMAN
0
35%
0.292
PF00061
6 -
(0)
?
- / - / -
0
130
S6A11_HUMAN
20
46%
0.367
PF13520
50 -
(0)
?
- / - / -
0
131
SL9B2_HUMAN
2
36%
0.337
PF02774
7 -
(0)
?
- / - / -
0
132
S2538_HUMAN
8
33%
0.133
PF00153
24 -
(0)
?
- / - / -
0
133
S39AE_HUMAN
0
31%
0.419
PF13499
8 -
(0)
?
- / - / -
0
134
DIC_HUMAN
7
41%
0.256
PF00153
20 -
(0)
?
- / - / -
0
135
S27A2_HUMAN
20
24%
0.487
PF13193
46 -
(19)
?
- / - / -
0
136
NCKX6_HUMAN
3
40%
0.289
PF00180
14 -
(0)
?
- / - / -
0
137
MFRN2_HUMAN
7
26%
0.183
PF00153
19 -
(0)
?
- / - / -
0
138
S22A6_HUMAN
6
43%
0.297
PF00083
15 -
(0)
?
- / - / -
0
139
S4A11_HUMAN
12
21%
0.332
PF00359
4 -
(0)
?
- / - / -
0
140
S19A1_HUMAN
9
25%
0.217
PF07690
2 -
(0)
?
- / - / -
0
141
S35B1_HUMAN
0
17%
0.141
PF03418
2 -
(0)
?
- / - / -
0
142
OSTB_HUMAN
0
52%
0.275
PF01193
2 -
(0)
?
- / - / -
0
143
SO2A1_HUMAN
8
19%
0.257
PF07690
0 -
(0)
?
- / - / -
0
144
S35A2_HUMAN
0
34%
0.064
PF03742
4 -
(0)
?
- / - / -
0
145
S29A4_HUMAN
0
30%
0.175
PF07690
4 -
(0)
?
- / - / -
0
146
S27A5_HUMAN
20
26%
0.477
PF13193
51 -
(21)
?
- / - / -
0
147
S4A8_HUMAN
15
58%
0.452
PF00115
4 -
(0)
?
- / - / -
0
148
S19A3_HUMAN
5
32%
0.230
PF07690
3 -
(0)
?
- / - / -
0
149
S35A3_HUMAN
1
31%
0.294
PF01044
1 -
(0)
?
- / - / -
0
150
S19A2_HUMAN
10
25%
0.258
PF07690
4 -
(0)
?
- / - / -
0
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