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
GTR7_HUMAN
19
43%
0.377
PF00083
15 -
(0)
?
- / - / -
0
101
S28A1_HUMAN
10
43%
0.389
PF01568
12 -
(0)
?
- / - / -
0
102
S35E3_HUMAN
0
43%
-0.038
PF02038
0 -
(0)
?
- / - / -
0
103
S22A6_HUMAN
6
43%
0.297
PF00083
15 -
(0)
?
- / - / -
0
104
S22A4_HUMAN
3
43%
0.205
PF07690
11 -
(0)
?
- / - / -
0
105
S26A9_HUMAN
12
43%
0.238
PF01740
3 -
(0)
?
- / - / -
0
106
S22AO_HUMAN
8
43%
0.233
PF07690
2 -
(0)
?
- / - / -
0
107
S22AB_HUMAN
5
43%
0.309
PF00083
12 -
(0)
?
- / - / -
0
108
MYCT_HUMAN
18
43%
0.320
PF00083
16 -
(0)
?
- / - / -
0
109
S22A9_HUMAN
7
43%
0.319
PF00083
12 -
(0)
?
- / - / -
0
110
GTR11_HUMAN
17
43%
0.383
PF00083
15 -
(0)
?
- / - / -
0
111
S36A4_HUMAN
3
42%
0.267
PF13520
10 -
(0)
?
- / - / -
0
112
S12A9_HUMAN
11
42%
0.400
PF00582
4 -
(0)
?
- / - / -
0
113
GTR8_HUMAN
17
42%
0.388
PF07690
15 -
(0)
?
- / - / -
0
114
NCKX5_HUMAN
3
42%
0.274
PF01699
13 -
(0)
?
- / - / -
0
115
S39A9_HUMAN
0
42%
0.122
PF03453
11 -
(0)
?
- / - / -
0
116
S22AK_HUMAN
8
41%
0.267
PF00083
8 -
(0)
?
- / - / -
0
117
S22AH_HUMAN
7
41%
0.243
PF00083
11 -
(0)
?
- / - / -
0
118
S39A1_HUMAN
0
41%
0.371
PF02525
14 -
(12)
?
- / - / -
0
119
FUCT1_HUMAN
0
41%
0.297
PF02038
1 -
(0)
?
- / - / -
0
120
DIC_HUMAN
7
41%
0.256
PF00153
20 -
(0)
?
- / - / -
0
121
NPT2A_HUMAN
0
41%
0.200
PF01741
1 -
(0)
?
- / - / -
0
122
TPC_HUMAN
12
41%
0.176
PF00153
19 -
(0)
?
- / - / -
0
123
CTL2_HUMAN
0
41%
0.145
PF01027
3 -
(0)
?
- / - / -
0
124
S35F2_HUMAN
1
41%
0.056
PF02038
0 -
(0)
?
- / - / -
0
125
NCKX6_HUMAN
3
40%
0.289
PF00180
14 -
(0)
?
- / - / -
0
126
S38A5_HUMAN
4
40%
0.302
PF02932
1 -
(0)
?
- / - / -
0
127
NTCP_HUMAN
5
40%
0.227
PF06965
11 -
(0)
?
- / - / -
0
128
S45A3_HUMAN
11
40%
0.225
PF07690
4 -
(0)
?
- / - / -
0
129
S28A3_HUMAN
10
40%
0.439
PF00584
12 -
(0)
?
- / - / -
0
130
S41A1_HUMAN
2
40%
0.324
PF03448
3 -
(0)
?
- / - / -
0
131
MOT7_HUMAN
8
39%
0.254
PF01306
5 -
(0)
?
- / - / -
0
132
S2543_HUMAN
11
39%
0.128
PF00153
20 -
(0)
?
- / - / -
0
133
S18B1_HUMAN
13
39%
0.284
PF07690
4 -
(0)
?
- / - / -
0
134
S39A4_HUMAN
0
39%
0.328
PF01405
2 -
(1)
?
- / - / -
0
135
NCKX1_HUMAN
7
39%
0.168
PF01699
12 -
(0)
?
- / - / -
0
136
S35G3_HUMAN
1
39%
-0.232
PF00893
0 -
(0)
?
- / - / -
0
137
S35B3_HUMAN
0
39%
-0.033
PF14785
1 -
(0)
?
- / - / -
0
138
SLC31_HUMAN
20
38%
0.381
PF00128
34 -
(0)
?
- / - / -
0
139
CTR2_HUMAN
4
38%
0.295
PF13520
6 -
(0)
?
- / - / -
0
140
S13A2_HUMAN
1
38%
0.072
PF00293
2 -
(0)
?
- / - / -
0
141
MCATL_HUMAN
11
38%
0.111
PF00153
19 -
(0)
?
- / - / -
0
142
UCP5_HUMAN
11
38%
0.154
PF00153
25 -
(0)
?
- / - / -
0
143
SC5A3_HUMAN
8
38%
0.356
PF00067
3 -
(0)
?
- / - / -
0
144
GTR9_HUMAN
16
38%
0.398
PF00083
C3_S1
13 -
(0)
2
- / - /
1
0
145
S27A1_HUMAN
20
38%
0.489
PF13193
C4_S1
54 -
(26)
2
- /
2
/ -
2
146
EAA4_HUMAN
28
38%
0.280
PF00873
C3_S1
22 -
(0)
4
- / - /
22
2
147
NRAM2_HUMAN
7
38%
0.292
PF13520
2 -
(0)
?
- / - / -
0
148
S28A2_HUMAN
10
38%
0.394
PF00584
12 -
(0)
?
- / - / -
0
149
S35B4_HUMAN
1
38%
0.443
PF00893
1 -
(1)
?
- / - / -
0
150
S2534_HUMAN
10
38%
0.214
PF00153
20 -
(0)
?
- / - / -
0
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