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
ODC_HUMAN
8
36%
0.147
PF00153
23 -
(0)
?
- / - / -
0
51
EAA2_HUMAN
33
35%
0.353
PF08037
C7_S1
23 -
(0)
4
- / - /
22
2
52
S2542_HUMAN
11
34%
0.187
PF00153
23 -
(0)
?
- / - / -
0
53
EAA5_HUMAN
35
37%
0.296
PF00873
C4_S1
22 -
(0)
4
- / - /
22
2
54
AAAT_HUMAN
36
50%
0.318
PF00873
C4_S1
22 -
(0)
4
- / - /
21
2
55
EAA1_HUMAN
34
35%
0.355
PF00873
C6_S1
22 -
(0)
4
- / - /
22
2
56
SATT_HUMAN
36
47%
0.345
PF04608
C8_S1
22 -
(0)
4
- / - /
21
2
57
MOT2_HUMAN
11
33%
0.282
PF07690
22 -
(0)
?
- / - / -
0
58
S2548_HUMAN
6
36%
0.076
PF00153
22 -
(0)
?
- / - / -
0
59
EAA3_HUMAN
32
35%
0.287
PF00873
C13_S1
22 -
(0)
4
- / - /
22
2
60
EAA4_HUMAN
28
38%
0.280
PF00873
C3_S1
22 -
(0)
4
- / - /
22
2
61
S15A1_HUMAN
17
32%
0.081
PF07690
21 -
(0)
?
- / - / -
0
62
PM34_HUMAN
7
36%
0.285
PF00153
21 -
(0)
?
- / - / -
0
63
S15A4_HUMAN
7
50%
0.407
PF07690
20 -
(0)
?
- / - / -
0
64
S2543_HUMAN
11
39%
0.128
PF00153
20 -
(0)
?
- / - / -
0
65
DIC_HUMAN
7
41%
0.256
PF00153
20 -
(0)
?
- / - / -
0
66
S2534_HUMAN
10
38%
0.214
PF00153
20 -
(0)
?
- / - / -
0
67
MFTC_HUMAN
12
29%
0.222
PF00153
20 -
(0)
?
- / - / -
0
68
MCAT_HUMAN
11
27%
0.181
PF00153
19 -
(0)
?
- / - / -
0
69
MFRN2_HUMAN
7
26%
0.183
PF00153
19 -
(0)
?
- / - / -
0
70
TPC_HUMAN
12
41%
0.176
PF00153
19 -
(0)
?
- / - / -
0
71
TXTP_HUMAN
9
35%
0.187
PF00153
19 -
(0)
?
- / - / -
0
72
ORNT2_HUMAN
6
61%
0.201
PF00153
19 -
(0)
?
- / - / -
0
73
MCATL_HUMAN
11
38%
0.111
PF00153
19 -
(0)
?
- / - / -
0
74
UCP2_HUMAN
11
96%
0.055
PF00153
19 -
(0)
?
- / - / -
0
75
ORNT1_HUMAN
6
35%
0.069
PF00153
19 -
(0)
?
- / - / -
0
76
S2536_HUMAN
12
32%
0.211
PF00153
19 -
(0)
?
- / - / -
0
77
S2539_HUMAN
7
28%
0.188
PF00153
18 -
(0)
?
- / - / -
0
78
S2535_HUMAN
8
36%
0.173
PF00153
18 -
(0)
?
- / - / -
0
79
UCP4_HUMAN
13
35%
0.206
PF00153
17 -
(0)
?
- / - / -
0
80
S41A2_HUMAN
2
30%
0.082
PF10613
17 -
(0)
?
- / - / -
0
81
S47A2_HUMAN
5
26%
0.104
PF00556
17 -
(0)
?
- / - / -
0
82
S15A3_HUMAN
6
31%
0.360
PF07690
17 -
(0)
?
- / - / -
0
83
KMCP1_HUMAN
11
46%
0.167
PF00153
16 -
(0)
?
- / - / -
0
84
GDC_HUMAN
11
30%
0.134
PF00153
C5_S1
16 -
(0)
1
- / - /
2
0
85
S2553_HUMAN
5
35%
0.259
PF00153
16 -
(0)
?
- / - / -
0
86
MYCT_HUMAN
18
43%
0.320
PF00083
16 -
(0)
?
- / - / -
0
87
MOT6_HUMAN
10
30%
0.318
PF07690
16 -
(0)
?
- / - / -
0
88
UCP3_HUMAN
13
73%
0.010
PF00153
16 -
(0)
?
- / - / -
0
89
GTR8_HUMAN
17
42%
0.388
PF07690
15 -
(0)
?
- / - / -
0
90
GTR11_HUMAN
17
43%
0.383
PF00083
15 -
(0)
?
- / - / -
0
91
UT1_HUMAN
9
79%
0.499
PF03253
C3_S1
15 -
(0)
1
- / - /
2
0
92
S22AD_HUMAN
5
50%
0.298
PF07690
15 -
(0)
?
- / - / -
0
93
S22AA_HUMAN
3
36%
0.342
PF00083
15 -
(0)
?
- / - / -
0
94
GTR4_HUMAN
18
64%
0.412
PF00083
15 -
(0)
2
- / - / -
0
95
S2545_HUMAN
10
30%
0.128
PF00153
15 -
(0)
?
- / - / -
0
96
S22A7_HUMAN
6
56%
0.245
PF00083
15 -
(0)
?
- / - / -
0
97
GTR3_HUMAN
19
99%
0.444
PF00083
15 -
(0)
2
- / - / -
0
98
MFRN1_HUMAN
6
29%
0.129
PF00153
15 -
(0)
?
- / - / -
0
99
SAMC_HUMAN
7
29%
0.169
PF00153
15 -
(0)
?
- / - / -
0
100
NTCP2_HUMAN
5
33%
0.224
PF01030
15 -
(0)
?
- / - / -
0
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