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
UCP1_HUMAN
13
58%
0.018
PF00153
23 -
(0)
1
- / - / -
0
51
MCAT_HUMAN
11
27%
0.181
PF00153
19 -
(0)
?
- / - / -
0
52
ORNT1_HUMAN
6
35%
0.069
PF00153
19 -
(0)
?
- / - / -
0
53
TXTP_HUMAN
9
35%
0.187
PF00153
19 -
(0)
?
- / - / -
0
54
MFRN2_HUMAN
7
26%
0.183
PF00153
19 -
(0)
?
- / - / -
0
55
S2535_HUMAN
8
36%
0.173
PF00153
18 -
(0)
?
- / - / -
0
56
S2536_HUMAN
12
32%
0.211
PF00153
19 -
(0)
?
- / - / -
0
57
UCP3_HUMAN
13
73%
0.010
PF00153
16 -
(0)
?
- / - / -
0
58
S2545_HUMAN
10
30%
0.128
PF00153
15 -
(0)
?
- / - / -
0
59
ORNT2_HUMAN
6
61%
0.201
PF00153
19 -
(0)
?
- / - / -
0
60
S2541_HUMAN
11
32%
0.255
PF00153
26 -
(0)
?
- / - / -
0
61
S2543_HUMAN
11
39%
0.128
PF00153
20 -
(0)
?
- / - / -
0
62
UCP2_HUMAN
11
96%
0.055
PF00153
19 -
(0)
?
- / - / -
0
63
MFRN1_HUMAN
6
29%
0.129
PF00153
15 -
(0)
?
- / - / -
0
64
UCP5_HUMAN
11
38%
0.154
PF00153
25 -
(0)
?
- / - / -
0
65
ODC_HUMAN
8
36%
0.147
PF00153
23 -
(0)
?
- / - / -
0
66
S2534_HUMAN
10
38%
0.214
PF00153
20 -
(0)
?
- / - / -
0
67
S2542_HUMAN
11
34%
0.187
PF00153
23 -
(0)
?
- / - / -
0
68
S2540_HUMAN
7
25%
0.044
PF00153
27 -
(0)
?
- / - / -
0
69
S2544_HUMAN
5
36%
0.200
PF00153
25 -
(0)
?
- / - / -
0
70
KMCP1_HUMAN
11
46%
0.167
PF00153
16 -
(0)
?
- / - / -
0
71
GHC2_HUMAN
14
36%
0.172
PF00153
25 -
(0)
?
- / - / -
0
72
S2539_HUMAN
7
28%
0.188
PF00153
18 -
(0)
?
- / - / -
0
73
GHC1_HUMAN
13
26%
0.192
PF00153
24 -
(0)
?
- / - / -
0
74
UCP4_HUMAN
13
35%
0.206
PF00153
17 -
(0)
?
- / - / -
0
75
MFTC_HUMAN
12
29%
0.222
PF00153
20 -
(0)
?
- / - / -
0
76
M2OM_HUMAN
7
35%
0.255
PF00153
27 -
(0)
?
- / - / -
0
77
S2553_HUMAN
5
35%
0.259
PF00153
16 -
(0)
?
- / - / -
0
78
S2548_HUMAN
6
36%
0.076
PF00153
22 -
(0)
?
- / - / -
0
79
ADT1_HUMAN
14
96%
0.241
PF00153
C5_S1
28 -
(0)
3
- /
3
/
2
1
80
ADT3_HUMAN
14
90%
0.217
PF00153
C5_S1
28 -
(0)
3
- / - /
9
1
81
ADT2_HUMAN
14
90%
0.197
PF00153
C4_S1
28 -
(0)
3
- /
3
/
2
1
82
ADT4_HUMAN
16
73%
0.255
PF00153
C3_S1
28 -
(0)
3
- / - /
4
1
83
S2538_HUMAN
8
33%
0.133
PF00153
24 -
(0)
?
- / - / -
0
84
SAMC_HUMAN
7
29%
0.169
PF00153
15 -
(0)
?
- / - / -
0
85
S2546_HUMAN
6
50%
0.251
PF00153
12 -
(0)
?
- / - / -
0
86
S35F1_HUMAN
0
35%
0.251
PF00171
1 -
(0)
?
- / - / -
0
87
OSCP1_HUMAN
0
47%
0.268
PF00179
3 -
(0)
?
- / - / -
0
88
S23A3_HUMAN
2
30%
0.231
PF00180
9 -
(0)
?
- / - / -
0
89
NCKX6_HUMAN
3
40%
0.289
PF00180
14 -
(0)
?
- / - / -
0
90
S26A3_HUMAN
10
36%
0.293
PF00230
8 -
(2)
?
- / - / -
0
91
S35A1_HUMAN
2
27%
0.175
PF00234
1 -
(0)
?
- / - / -
0
92
SC5A6_HUMAN
5
35%
0.355
PF00274
8 -
(0)
?
- / - / -
0
93
S13A1_HUMAN
1
27%
0.205
PF00283
0 -
(0)
?
- / - / -
0
94
S13A2_HUMAN
1
38%
0.072
PF00293
2 -
(0)
?
- / - / -
0
95
SL9C2_HUMAN
18
31%
0.495
PF00325
3 -
(0)
?
- / - / -
0
96
S4A11_HUMAN
12
21%
0.332
PF00359
4 -
(0)
?
- / - / -
0
97
SC5A5_HUMAN
7
25%
0.276
PF00474
3 -
(0)
?
- / - / -
0
98
SC5A7_HUMAN
3
28%
0.297
PF00474
3 -
(0)
?
- / - / -
0
99
SC5AA_HUMAN
9
50%
0.291
PF00474
2 -
(0)
?
- / - / -
0
100
SC5AB_HUMAN
10
32%
0.307
PF00474
2 -
(0)
?
- / - / -
0
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