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]
1
4F2_HUMAN
15
100%
0.613
PF00128
12 -
(0)
?
- / - / -
0
2
AAA1_HUMAN
5
25%
0.289
PF13520
4 -
(0)
?
- / - / -
0
3
AAAT_HUMAN
36
50%
0.318
PF00873
C4_S1
22 -
(0)
4
- / - /
21
2
4
ACATN_HUMAN
7
13%
0.276
PF07690
2 -
(0)
?
- / - / -
0
5
ADT1_HUMAN
14
96%
0.241
PF00153
C5_S1
28 -
(0)
3
- /
3
/
2
1
6
ADT2_HUMAN
14
90%
0.197
PF00153
C4_S1
28 -
(0)
3
- /
3
/
2
1
7
ADT3_HUMAN
14
90%
0.217
PF00153
C5_S1
28 -
(0)
3
- / - /
9
1
8
ADT4_HUMAN
16
73%
0.255
PF00153
C3_S1
28 -
(0)
3
- / - /
4
1
9
B3A2_HUMAN
14
100%
0.511
PF00955
5 -
(0)
?
- / - / -
0
10
B3A3_HUMAN
18
89%
0.486
PF00955
5 -
(0)
1
- / - / -
0
11
B3A4_HUMAN
14
51%
0.252
PF00955
3 -
(0)
?
- / - / -
0
12
B3AT_HUMAN
18
100%
0.538
PF00955
4 -
(0)
2
- / - / -
0
13
BAT1_HUMAN
5
32%
0.300
PF13520
9 -
(0)
?
- / - / -
0
14
BWR1B_HUMAN
0
31%
0.217
PF02826
1 -
(0)
?
- / - / -
0
15
CMC1_HUMAN
7
100%
0.597
PF13499
8 -
(0)
?
- / - / -
0
16
CMC2_HUMAN
8
92%
0.596
PF13499
6 -
(0)
?
- / - / -
0
17
COPT1_HUMAN
6
100%
0.071
PF00737
0 -
(0)
?
- / - / -
0
18
COPT2_HUMAN
0
57%
-0.025
PF02274
5 -
(0)
?
- / - / -
0
19
CTL1_HUMAN
0
33%
0.216
PF01754
0 -
(0)
?
- / - / -
0
20
CTL2_HUMAN
0
41%
0.145
PF01027
3 -
(0)
?
- / - / -
0
21
CTL3_HUMAN
0
37%
0.152
PF06623
5 -
(0)
?
- / - / -
0
22
CTL4_HUMAN
0
31%
0.185
PF07992
1 -
(1)
?
- / - / -
0
23
CTL5_HUMAN
0
29%
0.170
PF06100
2 -
(0)
?
- / - / -
0
24
CTR1_HUMAN
4
35%
0.330
PF13520
7 -
(0)
?
- / - / -
0
25
CTR2_HUMAN
4
38%
0.295
PF13520
6 -
(0)
?
- / - / -
0
26
CTR3_HUMAN
4
31%
0.311
PF13520
12 -
(0)
?
- / - / -
0
27
CTR4_HUMAN
7
32%
0.351
PF13520
13 -
(5)
?
- / - / -
0
28
DIC_HUMAN
7
41%
0.256
PF00153
20 -
(0)
?
- / - / -
0
29
EAA1_HUMAN
34
35%
0.355
PF00873
C6_S1
22 -
(0)
4
- / - /
22
2
30
EAA2_HUMAN
33
35%
0.353
PF08037
C7_S1
23 -
(0)
4
- / - /
22
2
31
EAA3_HUMAN
32
35%
0.287
PF00873
C13_S1
22 -
(0)
4
- / - /
22
2
32
EAA4_HUMAN
28
38%
0.280
PF00873
C3_S1
22 -
(0)
4
- / - /
22
2
33
EAA5_HUMAN
35
37%
0.296
PF00873
C4_S1
22 -
(0)
4
- / - /
22
2
34
FUCT1_HUMAN
0
41%
0.297
PF02038
1 -
(0)
?
- / - / -
0
35
G6PT1_HUMAN
11
29%
0.311
PF07690
5 -
(0)
?
- / - / -
0
36
GDC_HUMAN
11
30%
0.134
PF00153
C5_S1
16 -
(0)
1
- / - /
2
0
37
GHC1_HUMAN
13
26%
0.192
PF00153
24 -
(0)
?
- / - / -
0
38
GHC2_HUMAN
14
36%
0.172
PF00153
25 -
(0)
?
- / - / -
0
39
GLPT_HUMAN
12
44%
0.253
PF07690
3 -
(0)
?
- / - / -
0
40
GTR10_HUMAN
18
33%
0.348
PF00083
C2_S1
12 -
(0)
?
- / - /
1
0
41
GTR11_HUMAN
17
43%
0.383
PF00083
15 -
(0)
?
- / - / -
0
42
GTR12_HUMAN
17
37%
0.362
PF07690
14 -
(0)
?
- / - / -
0
43
GTR14_HUMAN
19
94%
0.402
PF00083
15 -
(0)
2
- / - / -
0
44
GTR1_HUMAN
20
99%
0.411
PF00083
C1_S1
13 -
(0)
2
- / - /
1
0
45
GTR2_HUMAN
18
52%
0.446
PF00083
C1_S1
15 -
(0)
1
- / - /
1
0
46
GTR3_HUMAN
19
99%
0.444
PF00083
15 -
(0)
2
- / - / -
0
47
GTR4_HUMAN
18
64%
0.412
PF00083
15 -
(0)
2
- / - / -
0
48
GTR5_HUMAN
17
54%
0.349
PF00083
15 -
(0)
?
- / - / -
0
49
GTR6_HUMAN
15
35%
0.390
PF00083
12 -
(0)
?
- / - / -
0
50
GTR7_HUMAN
19
43%
0.377
PF00083
15 -
(0)
?
- / - / -
0
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