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
S22A9_HUMAN
7
43%
0.319
PF00083
12 -
(0)
?
- / - / -
0
101
MYCT_HUMAN
18
43%
0.320
PF00083
16 -
(0)
?
- / - / -
0
102
SC5AC_HUMAN
7
43%
0.254
PF00474
3 -
(0)
?
- / - / -
0
103
S26A9_HUMAN
12
43%
0.238
PF01740
3 -
(0)
?
- / - / -
0
104
S28A1_HUMAN
10
43%
0.389
PF01568
12 -
(0)
?
- / - / -
0
105
S2547_HUMAN
7
43%
0.007
PF02932
29 -
(0)
?
- / - / -
0
106
S22A5_HUMAN
1
43%
0.213
PF07690
14 -
(0)
?
- / - / -
0
107
GTR7_HUMAN
19
43%
0.377
PF00083
15 -
(0)
?
- / - / -
0
108
S22A6_HUMAN
6
43%
0.297
PF00083
15 -
(0)
?
- / - / -
0
109
LAT3_HUMAN
7
43%
0.195
PF07690
4 -
(0)
?
- / - / -
0
110
S35E3_HUMAN
0
43%
-0.038
PF02038
0 -
(0)
?
- / - / -
0
111
S12A9_HUMAN
11
42%
0.400
PF00582
4 -
(0)
?
- / - / -
0
112
GTR8_HUMAN
17
42%
0.388
PF07690
15 -
(0)
?
- / - / -
0
113
NCKX5_HUMAN
3
42%
0.274
PF01699
13 -
(0)
?
- / - / -
0
114
S39A9_HUMAN
0
42%
0.122
PF03453
11 -
(0)
?
- / - / -
0
115
S36A4_HUMAN
3
42%
0.267
PF13520
10 -
(0)
?
- / - / -
0
116
TPC_HUMAN
12
41%
0.176
PF00153
19 -
(0)
?
- / - / -
0
117
NPT2A_HUMAN
0
41%
0.200
PF01741
1 -
(0)
?
- / - / -
0
118
S35F2_HUMAN
1
41%
0.056
PF02038
0 -
(0)
?
- / - / -
0
119
S22AH_HUMAN
7
41%
0.243
PF00083
11 -
(0)
?
- / - / -
0
120
FUCT1_HUMAN
0
41%
0.297
PF02038
1 -
(0)
?
- / - / -
0
121
DIC_HUMAN
7
41%
0.256
PF00153
20 -
(0)
?
- / - / -
0
122
CTL2_HUMAN
0
41%
0.145
PF01027
3 -
(0)
?
- / - / -
0
123
S39A1_HUMAN
0
41%
0.371
PF02525
14 -
(12)
?
- / - / -
0
124
S22AK_HUMAN
8
41%
0.267
PF00083
8 -
(0)
?
- / - / -
0
125
S45A3_HUMAN
11
40%
0.225
PF07690
4 -
(0)
?
- / - / -
0
126
S28A3_HUMAN
10
40%
0.439
PF00584
12 -
(0)
?
- / - / -
0
127
NTCP_HUMAN
5
40%
0.227
PF06965
11 -
(0)
?
- / - / -
0
128
NCKX6_HUMAN
3
40%
0.289
PF00180
14 -
(0)
?
- / - / -
0
129
S38A5_HUMAN
4
40%
0.302
PF02932
1 -
(0)
?
- / - / -
0
130
S41A1_HUMAN
2
40%
0.324
PF03448
3 -
(0)
?
- / - / -
0
131
NCKX1_HUMAN
7
39%
0.168
PF01699
12 -
(0)
?
- / - / -
0
132
S2543_HUMAN
11
39%
0.128
PF00153
20 -
(0)
?
- / - / -
0
133
S35G3_HUMAN
1
39%
-0.232
PF00893
0 -
(0)
?
- / - / -
0
134
S39A4_HUMAN
0
39%
0.328
PF01405
2 -
(1)
?
- / - / -
0
135
S18B1_HUMAN
13
39%
0.284
PF07690
4 -
(0)
?
- / - / -
0
136
MOT7_HUMAN
8
39%
0.254
PF01306
5 -
(0)
?
- / - / -
0
137
S35B3_HUMAN
0
39%
-0.033
PF14785
1 -
(0)
?
- / - / -
0
138
GTR9_HUMAN
16
38%
0.398
PF00083
C3_S1
13 -
(0)
2
- / - /
1
0
139
S28A2_HUMAN
10
38%
0.394
PF00584
12 -
(0)
?
- / - / -
0
140
S13A2_HUMAN
1
38%
0.072
PF00293
2 -
(0)
?
- / - / -
0
141
SL9C1_HUMAN
16
38%
0.397
PF00027
13 -
(0)
?
- / - / -
0
142
UCP5_HUMAN
11
38%
0.154
PF00153
25 -
(0)
?
- / - / -
0
143
S35B4_HUMAN
1
38%
0.443
PF00893
1 -
(1)
?
- / - / -
0
144
SC5A3_HUMAN
8
38%
0.356
PF00067
3 -
(0)
?
- / - / -
0
145
S27A1_HUMAN
20
38%
0.489
PF13193
C4_S1
54 -
(26)
2
- /
2
/ -
2
146
CTR2_HUMAN
4
38%
0.295
PF13520
6 -
(0)
?
- / - / -
0
147
MCATL_HUMAN
11
38%
0.111
PF00153
19 -
(0)
?
- / - / -
0
148
SLC31_HUMAN
20
38%
0.381
PF00128
34 -
(0)
?
- / - / -
0
149
NRAM2_HUMAN
7
38%
0.292
PF13520
2 -
(0)
?
- / - / -
0
150
EAA4_HUMAN
28
38%
0.280
PF00873
C3_S1
22 -
(0)
4
- / - /
22
2
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