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
MOT14_HUMAN
11
32%
0.252
PF07690
2 -
(0)
?
- / - / -
0
101
S2542_HUMAN
11
34%
0.187
PF00153
23 -
(0)
?
- / - / -
0
102
MOT9_HUMAN
11
26%
0.266
PF07690
4 -
(0)
?
- / - / -
0
103
MOT2_HUMAN
11
33%
0.282
PF07690
22 -
(0)
?
- / - / -
0
104
MFSD5_HUMAN
11
31%
0.273
PF07690
2 -
(0)
?
- / - / -
0
105
MOT5_HUMAN
11
29%
0.288
PF07690
6 -
(0)
?
- / - / -
0
106
GDC_HUMAN
11
30%
0.134
PF00153
C5_S1
16 -
(0)
1
- / - /
2
0
107
MOT4_HUMAN
11
18%
0.244
PF07690
4 -
(0)
?
- / - / -
0
108
KMCP1_HUMAN
11
46%
0.167
PF00153
16 -
(0)
?
- / - / -
0
109
S2543_HUMAN
11
39%
0.128
PF00153
20 -
(0)
?
- / - / -
0
110
NPT4_HUMAN
11
25%
0.165
PF07690
1 -
(0)
?
- / - / -
0
111
MCAT_HUMAN
11
27%
0.181
PF00153
19 -
(0)
?
- / - / -
0
112
S45A3_HUMAN
11
40%
0.225
PF07690
4 -
(0)
?
- / - / -
0
113
MCATL_HUMAN
11
38%
0.111
PF00153
19 -
(0)
?
- / - / -
0
114
SCMC3_HUMAN
11
50%
0.633
PF13499
7 -
(0)
?
- / - / -
0
115
VACHT_HUMAN
11
48%
0.261
PF07690
5 -
(0)
?
- / - / -
0
116
S22AI_HUMAN
11
27%
0.292
PF07690
3 -
(0)
?
- / - / -
0
117
S12A9_HUMAN
11
42%
0.400
PF00582
4 -
(0)
?
- / - / -
0
118
UCP5_HUMAN
11
38%
0.154
PF00153
25 -
(0)
?
- / - / -
0
119
UCP2_HUMAN
11
96%
0.055
PF00153
19 -
(0)
?
- / - / -
0
120
S2541_HUMAN
11
32%
0.255
PF00153
26 -
(0)
?
- / - / -
0
121
S2534_HUMAN
10
38%
0.214
PF00153
20 -
(0)
?
- / - / -
0
122
S17A5_HUMAN
10
32%
0.150
PF07690
4 -
(0)
?
- / - / -
0
123
S15A5_HUMAN
10
22%
0.230
PF07690
6 -
(0)
?
- / - / -
0
124
VMAT2_HUMAN
10
61%
0.227
PF07690
6 -
(0)
?
- / - / -
0
125
S19A2_HUMAN
10
25%
0.258
PF07690
4 -
(0)
?
- / - / -
0
126
MOT13_HUMAN
10
31%
0.296
PF07690
6 -
(0)
?
- / - / -
0
127
MOT6_HUMAN
10
30%
0.318
PF07690
16 -
(0)
?
- / - / -
0
128
S26A3_HUMAN
10
36%
0.293
PF00230
8 -
(2)
?
- / - / -
0
129
S28A2_HUMAN
10
38%
0.394
PF00584
12 -
(0)
?
- / - / -
0
130
LAT4_HUMAN
10
26%
0.136
PF07690
2 -
(0)
?
- / - / -
0
131
TSCOT_HUMAN
10
29%
0.085
PF07690
3 -
(0)
?
- / - / -
0
132
S2545_HUMAN
10
30%
0.128
PF00153
15 -
(0)
?
- / - / -
0
133
S26A7_HUMAN
10
27%
0.364
PF01740
4 -
(0)
?
- / - / -
0
134
S45A4_HUMAN
10
23%
0.113
PF07690
2 -
(0)
?
- / - / -
0
135
S40A1_HUMAN
10
25%
0.299
PF07690
4 -
(0)
?
- / - / -
0
136
S45A2_HUMAN
10
36%
0.238
PF07690
2 -
(0)
?
- / - / -
0
137
SCMC1_HUMAN
10
100%
0.767
PF13499
8 -
(0)
?
- / - / -
0
138
S28A1_HUMAN
10
43%
0.389
PF01568
12 -
(0)
?
- / - / -
0
139
S22AP_HUMAN
10
50%
0.273
PF00083
8 -
(0)
?
- / - / -
0
140
SC5AB_HUMAN
10
32%
0.307
PF00474
2 -
(0)
?
- / - / -
0
141
SO4C1_HUMAN
10
19%
0.167
PF07690
1 -
(0)
?
- / - / -
0
142
MOT10_HUMAN
10
20%
0.246
PF07690
2 -
(0)
?
- / - / -
0
143
S45A1_HUMAN
10
25%
0.133
PF07690
4 -
(0)
?
- / - / -
0
144
S26A6_HUMAN
10
36%
0.395
PF01867
14 -
(0)
?
- / - / -
0
145
S28A3_HUMAN
10
40%
0.439
PF00584
12 -
(0)
?
- / - / -
0
146
SO1C1_HUMAN
10
20%
0.180
PF07690
3 -
(0)
?
- / - / -
0
147
S43A3_HUMAN
10
52%
0.252
PF00069
7 -
(0)
?
- / - / -
0
148
SO2B1_HUMAN
10
20%
0.223
PF07690
3 -
(0)
?
- / - / -
0
149
TXTP_HUMAN
9
35%
0.187
PF00153
19 -
(0)
?
- / - / -
0
150
SO1B1_HUMAN
9
17%
0.144
PF07690
2 -
(0)
?
- / - / -
0
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