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]
50
GTR7_HUMAN
19
43%
0.377
PF00083
15 -
(0)
?
- / - / -
0
51
GTR8_HUMAN
17
42%
0.388
PF07690
15 -
(0)
?
- / - / -
0
52
GTR9_HUMAN
16
38%
0.398
PF00083
C3_S1
13 -
(0)
2
- / - /
1
0
53
HRG1_HUMAN
0
37%
0.111
PF00909
0 -
(0)
?
- / - / -
0
54
KMCP1_HUMAN
11
46%
0.167
PF00153
16 -
(0)
?
- / - / -
0
55
LAT1_HUMAN
6
25%
0.304
PF13520
6 -
(0)
?
- / - / -
0
56
LAT2_HUMAN
6
26%
0.366
PF13520
4 -
(0)
?
- / - / -
0
57
LAT3_HUMAN
7
43%
0.195
PF07690
4 -
(0)
?
- / - / -
0
58
LAT4_HUMAN
10
26%
0.136
PF07690
2 -
(0)
?
- / - / -
0
59
M2OM_HUMAN
7
35%
0.255
PF00153
27 -
(0)
?
- / - / -
0
60
MCAT_HUMAN
11
27%
0.181
PF00153
19 -
(0)
?
- / - / -
0
61
MCATL_HUMAN
11
38%
0.111
PF00153
19 -
(0)
?
- / - / -
0
62
MFRN1_HUMAN
6
29%
0.129
PF00153
15 -
(0)
?
- / - / -
0
63
MFRN2_HUMAN
7
26%
0.183
PF00153
19 -
(0)
?
- / - / -
0
64
MFSD5_HUMAN
11
31%
0.273
PF07690
2 -
(0)
?
- / - / -
0
65
MFTC_HUMAN
12
29%
0.222
PF00153
20 -
(0)
?
- / - / -
0
66
MOT10_HUMAN
10
20%
0.246
PF07690
2 -
(0)
?
- / - / -
0
67
MOT11_HUMAN
12
29%
0.187
PF07690
1 -
(0)
?
- / - / -
0
68
MOT12_HUMAN
12
36%
0.314
PF07690
6 -
(0)
?
- / - / -
0
69
MOT13_HUMAN
10
31%
0.296
PF07690
6 -
(0)
?
- / - / -
0
70
MOT14_HUMAN
11
32%
0.252
PF07690
2 -
(0)
?
- / - / -
0
71
MOT1_HUMAN
13
30%
0.282
PF07690
2 -
(0)
?
- / - / -
0
72
MOT2_HUMAN
11
33%
0.282
PF07690
22 -
(0)
?
- / - / -
0
73
MOT3_HUMAN
9
25%
0.252
PF01306
4 -
(0)
?
- / - / -
0
74
MOT4_HUMAN
11
18%
0.244
PF07690
4 -
(0)
?
- / - / -
0
75
MOT5_HUMAN
11
29%
0.288
PF07690
6 -
(0)
?
- / - / -
0
76
MOT6_HUMAN
10
30%
0.318
PF07690
16 -
(0)
?
- / - / -
0
77
MOT7_HUMAN
8
39%
0.254
PF01306
5 -
(0)
?
- / - / -
0
78
MOT8_HUMAN
9
24%
0.244
PF07690
12 -
(0)
?
- / - / -
0
79
MOT9_HUMAN
11
26%
0.266
PF07690
4 -
(0)
?
- / - / -
0
80
MPCP_HUMAN
6
30%
0.246
PF00153
23 -
(0)
1
- / - / -
0
81
MYCT_HUMAN
18
43%
0.320
PF00083
16 -
(0)
?
- / - / -
0
82
NAC1_HUMAN
21
98%
0.616
PF01699
5 -
(0)
1
- / - / -
0
83
NAC2_HUMAN
21
68%
0.371
PF01699
4 -
(0)
1
- / - / -
0
84
NAC3_HUMAN
20
97%
0.456
PF01699
4 -
(0)
1
- / - / -
0
85
NADAP_HUMAN
16
100%
0.648
PF00498
6 -
(0)
?
- / - / -
0
86
NCKX1_HUMAN
7
39%
0.168
PF01699
12 -
(0)
?
- / - / -
0
87
NCKX2_HUMAN
3
26%
0.212
PF01699
9 -
(0)
?
- / - / -
0
88
NCKX3_HUMAN
3
30%
0.206
PF01699
10 -
(0)
?
- / - / -
0
89
NCKX4_HUMAN
3
26%
0.183
PF01699
11 -
(0)
?
- / - / -
0
90
NCKX5_HUMAN
3
42%
0.274
PF01699
13 -
(0)
?
- / - / -
0
91
NCKX6_HUMAN
3
40%
0.289
PF00180
14 -
(0)
?
- / - / -
0
92
NHRF1_HUMAN
14
100%
0.515
PF00595
43 -
(0)
?
- / - / -
0
93
NHRF2_HUMAN
13
100%
0.765
PF00595
47 -
(0)
1
- / - / -
0
94
NPT1_HUMAN
8
25%
0.219
PF07690
2 -
(0)
?
- / - / -
0
95
NPT2A_HUMAN
0
41%
0.200
PF01741
1 -
(0)
?
- / - / -
0
96
NPT2B_HUMAN
0
44%
0.435
PF01741
0 -
(0)
?
- / - / -
0
97
NPT2C_HUMAN
0
35%
0.165
PF07714
0 -
(0)
?
- / - / -
0
98
NPT3_HUMAN
9
36%
0.211
PF07690
4 -
(0)
?
- / - / -
0
99
NPT4_HUMAN
11
25%
0.165
PF07690
1 -
(0)
?
- / - / -
0
100
NRAM1_HUMAN
6
35%
0.286
PF07885
1 -
(0)
?
- / - / -
0
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