Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
SH2_H_PFAM (2017 - Homo sapiens - Human SH2 Domain)
Download :
Data.csv
|
3D Common Core
|
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
CHAIN - [nb=972] --> .....PROTEIN CD3 EPSILON CHAIN
MLA - [nb=37] --> MALONIC ACID
PHS - [nb=37] --> PHOSPHONIC ACID
ACE - [nb=33] --> ACETYL GROUP
C78 - [nb=33] --> .....C ACID 3-AMINOBENZYLESTER
CC1 - [nb=30] --> .....O-PHENYL}-PHOSPHONIC ACID
PTC - [nb=22] --> .....CLOPROPANECARBOXYLIC ACID
S1S - [nb=18] --> .....10-YL)PHENYL)MALONIC ACID
CC0 - [nb=15] --> .....HONO-PHENOXY)-ACETIC ACID
EDO - [nb=15] --> 1,2-ETHANEDIOL
PSN - [nb=13] --> .....PHENYL HYDROGEN PHOSPHATE
853 - [nb=13] --> .....ARBOXYMETHYL-BENZOIC ACID
772 - [nb=13] --> .....8-YL DIHYDROGEN PHOSPHATE
787 - [nb=13] --> .....O-METHYL)-PHOSPHONIC ACID
HPS - [nb=13] --> .....ENYL DIHYDROGEN PHOSPHATE
687 - [nb=13] --> .....L-O-PHOSPHONOTYROSINAMIDE
256 - [nb=13] --> PHENYL(SULFO)ACETIC ACID
843 - [nb=13] --> .....]-O-PHOSPHONOTYROSINAMIDE
I59 - [nb=13] --> .....HYL)METHYLPHOSPHONIC ACID
821 - [nb=13] --> .....-FORMYLPHENYL]ACETIC ACID
822 - [nb=13] --> .....)METHYL]PHENYLALANINAMIDE
UR2 - [nb=13] --> .....YL-CARBAMOYL]BUTYRIC ACID
OXD - [nb=13] --> OXALIC ACID
791 - [nb=13] --> 2-PHENYLMALONIC ACID
CIT - [nb=13] --> CITRIC ACID
903 - [nb=13] --> .....YL}-2-FLUORO-MALONIC ACID
493 - [nb=12] --> .....HONO-PHENOXY}-ACETIC ACID
852 - [nb=12] --> .....BOXY-PHENYL}-MALONIC ACID
1C5 - [nb=12] --> .....XYLMETHYL]ALANINYL]-AMINE
876 - [nb=12] --> .....HOSPHONOPHENYLALANINAMIDE
197 - [nb=12] --> .....YL]-2-FORMYL-BENZOIC ACID
299 - [nb=11] --> .....ENYL DIHYDROGEN PHOSPHATE
YVN - [nb=6] --> .....YL)-L-VALYL-L-ASPARTAMIDE
AYQ - [nb=6] --> .....CYCLOPROPYL}PHENYL) ESTER
AYI - [nb=6] --> .....CYCLOPROPYL}PHENYL) ESTER
FYQ - [nb=6] --> .....-GLUTAMINYL-L-ASPARTAMIDE
GOL - [nb=6] --> GLYCEROL
FYI - [nb=3] --> .....AMOYLPROPYL}PHENYL) ESTER
DTF - [nb=3] --> .....-YL]BENZYLPHOSPHONIC ACID
IMD - [nb=3] --> IMIDAZOLE
TVN - [nb=3] --> .....YL}-L-VALYL-L-ASPARTAMIDE
YEN - [nb=3] --> .....HA-GLUTAMYL-L-ASPARTAMIDE
IPA - [nb=1] --> ISOPROPYL ALCOHOL
300 - [nb=1] --> .....ENYL DIHYDROGEN PHOSPHATE
Targets
for screening
Sort by entries
[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1
B4DVK9_HUMAN
12
100%
0.58
PF00018
C3_S1
168 -
(2)
?
- / - /
1
0
2
P85A_HUMAN
20
100%
0.86
PF00018
C4_S1
124 -
(2)
?
1
/
2
/ -
0
3
CRKL_HUMAN
18
100%
0.79
PF00018
C1_S1
248 -
(77)
1
- / - /
2
0
4
HSH2D_HUMAN
5
100%
0.56
PF00017
114 -
(2)
?
- / - / -
0
5
A8MY80_HUMAN
22
100%
?
PF00018
C2_S1
152 -
(2)
4
1
/
1
/
7
1
6
LCK_HUMAN
87
100%
0.83
PF00018
C2_S1
244 -
(86)
18
- /
32
/
46
27
7
SOCS6_HUMAN
8
100%
0.66
PF00018
C4_S1
185 -
(73)
1
2
/ - /
1
0
8
C3W980_HUMAN
16
100%
0.56
PF00018
C2_S1
243 -
(95)
1
- /
1
/
8
1
9
SH21A_HUMAN
20
100%
0.52
PF00018
C2_S1
204 -
(74)
1
- /
1
/
3
0
10
ZAP70_HUMAN
19
100%
0.79
PF00018
C2_S1
257 -
(79)
2
- /
1
/
9
0
11
B2R7X4_HUMAN
22
100%
0.66
PF00018
C3_S1
221 -
(74)
4
- /
2
/
5
1
12
F1T0G6_HUMAN
6
100%
0.69
PF00018
246 -
(77)
?
- / - / -
0
13
A8K4G2_HUMAN
14
100%
0.59
PF00018
C3_S1
202 -
(60)
1
- /
1
/
8
1
14
C9JF09_HUMAN
12
100%
0.59
PF00018
C7_S1
221 -
(76)
?
- /
1
/
1
0
15
C9JAB9_HUMAN
9
100%
0.61
PF00018
C2_S1
239 -
(93)
?
- /
7
/ -
0
16
E5RFS5_HUMAN
89
100%
0.78
PF00018
C2_S1
229 -
(80)
19
- /
29
/
45
26
17
STAT1_HUMAN
16
100%
0.76
PF02865
C2_S1
15 -
(0)
?
- /
3
/ -
0
18
F5GY79_HUMAN
20
100%
0.59
PF00018
C2_S1
229 -
(87)
1
- / - /
2
0
19
ABL2_HUMAN
23
100%
0.66
PF00018
C2_S1
271 -
(92)
3
- /
2
/
6
1
20
TXK_HUMAN
17
100%
0.62
PF00018
C1_S1
136 -
(37)
2
- / - /
1
0
21
B3GUD5_HUMAN
19
100%
0.75
PF00018
C1_S1
219 -
(81)
3
- /
2
/
6
2
22
PLCG1_HUMAN
5
100%
0.72
PF00018
215 -
(81)
?
- / - / -
0
23
Q53EL0_HUMAN
19
100%
0.71
PF00018
C3_S1
210 -
(87)
1
- / - /
3
1
24
VAV2_HUMAN
12
100%
0.66
PF00018
C2_S1
114 -
(2)
?
- / - /
3
0
25
B4E0E2_HUMAN
17
100%
0.57
PF00018
C6_S1
130 -
(0)
0
- / - /
4
0
26
B7Z7F9_HUMAN
23
100%
0.63
PF00018
C2_S1
251 -
(84)
4
- /
2
/
5
1
27
HCK_HUMAN
103
100%
0.73
PF00018
C1_S1
248 -
(89)
19
- /
29
/
46
26
28
CHIN_HUMAN
6
100%
0.64
PF00018
207 -
(1)
?
- / - / -
0
29
B3GUD3_HUMAN
29
100%
0.84
PF00018
C1_S1
241 -
(86)
3
- /
1
/
7
0
30
Q53TG4_HUMAN
9
100%
0.62
PF00018
C2_S1
241 -
(92)
0
- /
7
/ -
0
31
STAP1_HUMAN
17
100%
0.80
PF07653
C2_S1
11 -
(0)
?
1
/ - / -
0
32
JAK2_HUMAN
18
100%
0.70
PF00018
6 -
(0)
?
- / - / -
0
33
B5BTZ6_HUMAN
12
100%
0.55
PF02865
C2_S1
9 -
(0)
?
- /
3
/ -
0
34
CRK_HUMAN
18
100%
0.74
PF00018
C6_S1
215 -
(85)
?
- / - /
2
0
35
C3W981_HUMAN
15
100%
0.53
PF00018
C2_S1
225 -
(74)
0
- / - /
3
0
36
Q5H9R6_HUMAN
15
100%
0.44
PF07525
23 -
(0)
?
- / - / -
0
37
B7Z2N8_HUMAN
19
100%
0.83
PF00018
C5_S1
135 -
(2)
?
1
/
2
/ -
0
38
E7EPG8_HUMAN
24
100%
0.81
PF00018
C3_S1
245 -
(75)
2
1
/
1
/
6
1
39
Q5U0H7_HUMAN
9
100%
0.56
PF00018
C4_S1
101 -
(30)
?
- /
4
/ -
0
40
B3KWZ7_HUMAN
12
100%
0.71
PF00018
C3_S1
229 -
(87)
1
- /
1
/
2
1
41
H0YBC2_HUMAN
19
100%
0.80
PF00018
C6_S1
143 -
(2)
?
- /
1
/
2
0
42
F5GZ86_HUMAN
11
100%
0.69
PF02865
13 -
(0)
?
- / - / -
0
43
D6R919_HUMAN
13
100%
0.61
PF00018
13 -
(0)
?
- / - / -
0
44
A8K709_HUMAN
18
100%
0.70
PF00018
C2_S1
200 -
(66)
2
- / - /
1
0
45
Q59FK4_HUMAN
25
100%
0.65
PF00018
C1_S1
264 -
(89)
4
- /
3
/
9
1
46
B0LPF3_HUMAN
79
100%
0.85
PF00018
C2_S1
229 -
(88)
20
4
/
67
/
6
10
47
FER_HUMAN
9
100%
0.56
PF00018
222 -
(77)
1
- / - / -
0
48
FES_HUMAN
15
100%
0.45
PF00018
105 -
(0)
1
- / - / -
0
49
SHIP2_HUMAN
17
100%
0.52
PF00018
C1_S1
184 -
(2)
?
- /
1
/
1
0
50
RASA1_HUMAN
4
100%
0.66
PF00102
44 -
(2)
?
- / - / -
0
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