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
SC5AB_HUMAN
10
32%
0.307
PF00474
2 -
(0)
?
- / - / -
0
101
SC5A4_HUMAN
9
28%
0.332
PF00474
2 -
(0)
?
- / - / -
0
102
SC5A8_HUMAN
7
36%
0.287
PF00474
3 -
(0)
?
- / - / -
0
103
SC5A1_HUMAN
6
34%
0.333
PF00474
2 -
(0)
?
- / - / -
0
104
SC5AC_HUMAN
7
43%
0.254
PF00474
3 -
(0)
?
- / - / -
0
105
SC5A9_HUMAN
9
35%
0.298
PF00474
3 -
(0)
?
- / - / -
0
106
SC5A2_HUMAN
9
50%
0.314
PF00474
3 -
(0)
?
- / - / -
0
107
S2551_HUMAN
5
33%
0.270
PF00488
52 -
(0)
?
- / - / -
0
108
S2552_HUMAN
5
33%
0.277
PF00488
34 -
(0)
?
- / - / -
0
109
NADAP_HUMAN
16
100%
0.648
PF00498
6 -
(0)
?
- / - / -
0
110
S35F4_HUMAN
1
45%
0.094
PF00556
3 -
(0)
?
- / - / -
0
111
S47A2_HUMAN
5
26%
0.104
PF00556
17 -
(0)
?
- / - / -
0
112
S12A7_HUMAN
2
17%
0.475
PF00582
5 -
(0)
?
- / - / -
0
113
S12A3_HUMAN
4
16%
0.466
PF00582
7 -
(0)
?
- / - / -
0
114
S12A9_HUMAN
11
42%
0.400
PF00582
4 -
(0)
?
- / - / -
0
115
S13A5_HUMAN
1
35%
0.114
PF00584
0 -
(0)
?
- / - / -
0
116
S38A6_HUMAN
4
30%
0.253
PF00584
1 -
(0)
?
- / - / -
0
117
S28A2_HUMAN
10
38%
0.394
PF00584
12 -
(0)
?
- / - / -
0
118
S28A3_HUMAN
10
40%
0.439
PF00584
12 -
(0)
?
- / - / -
0
119
NHRF2_HUMAN
13
100%
0.765
PF00595
47 -
(0)
1
- / - / -
0
120
NHRF1_HUMAN
14
100%
0.515
PF00595
43 -
(0)
?
- / - / -
0
121
ZNT9_HUMAN
8
100%
0.211
PF00615
3 -
(0)
?
- / - / -
0
122
RSCA1_HUMAN
2
31%
0.580
PF00627
0 -
(0)
?
- / - / -
0
123
COPT1_HUMAN
6
100%
0.071
PF00737
0 -
(0)
?
- / - / -
0
124
S20A1_HUMAN
0
34%
0.275
PF00737
0 -
(0)
?
- / - / -
0
125
S35D3_HUMAN
0
29%
0.162
PF00775
0 -
(0)
?
- / - / -
0
126
EAA5_HUMAN
35
37%
0.296
PF00873
C4_S1
22 -
(0)
4
- / - /
22
2
127
AAAT_HUMAN
36
50%
0.318
PF00873
C4_S1
22 -
(0)
4
- / - /
21
2
128
EAA1_HUMAN
34
35%
0.355
PF00873
C6_S1
22 -
(0)
4
- / - /
22
2
129
EAA3_HUMAN
32
35%
0.287
PF00873
C13_S1
22 -
(0)
4
- / - /
22
2
130
EAA4_HUMAN
28
38%
0.280
PF00873
C3_S1
22 -
(0)
4
- / - /
22
2
131
S35G3_HUMAN
1
39%
-0.232
PF00893
0 -
(0)
?
- / - / -
0
132
S35B4_HUMAN
1
38%
0.443
PF00893
1 -
(1)
?
- / - / -
0
133
S35D2_HUMAN
2
34%
-0.147
PF00893
1 -
(0)
?
- / - / -
0
134
HRG1_HUMAN
0
37%
0.111
PF00909
0 -
(0)
?
- / - / -
0
135
S4A7_HUMAN
14
58%
0.377
PF00955
3 -
(0)
0
- / - / -
0
136
S4A5_HUMAN
13
36%
0.414
PF00955
6 -
(0)
?
- / - / -
0
137
S4A4_HUMAN
15
55%
0.353
PF00955
3 -
(0)
0
- / - / -
0
138
S4A10_HUMAN
15
60%
0.443
PF00955
3 -
(0)
?
- / - / -
0
139
B3A4_HUMAN
14
51%
0.252
PF00955
3 -
(0)
?
- / - / -
0
140
B3AT_HUMAN
18
100%
0.538
PF00955
4 -
(0)
2
- / - / -
0
141
B3A3_HUMAN
18
89%
0.486
PF00955
5 -
(0)
1
- / - / -
0
142
B3A2_HUMAN
14
100%
0.511
PF00955
5 -
(0)
?
- / - / -
0
143
SL9A3_HUMAN
5
84%
0.294
PF00999
5 -
(0)
?
- / - / -
0
144
SL9A5_HUMAN
6
88%
0.195
PF00999
2 -
(0)
?
- / - / -
0
145
SL9B1_HUMAN
2
30%
0.332
PF00999
2 -
(0)
?
- / - / -
0
146
SL9A8_HUMAN
2
62%
0.351
PF00999
10 -
(0)
?
- / - / -
0
147
SL9A7_HUMAN
3
68%
0.283
PF00999
3 -
(0)
?
- / - / -
0
148
SL9A9_HUMAN
4
64%
0.281
PF00999
6 -
(0)
?
- / - / -
0
149
SL9A6_HUMAN
2
68%
0.371
PF00999
150 -
(0)
?
- / - / -
0
150
SL9A1_HUMAN
7
100%
0.287
PF00999
3 -
(0)
1
- / - / -
0
<<
Page
1
2
3
4
5
6
7
8
/ 8
>>
- Show
50
100
250
500
All