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
HCK_HUMAN
103
100%
0.73
PF00018
C1_S1
248 -
(89)
19
- /
29
/
46
26
2
FGR_HUMAN
95
84%
0.72
PF00018
C3_S1
240 -
(82)
19
- /
29
/
47
26
3
YES_HUMAN
91
83%
0.65
PF00018
C3_S1
232 -
(80)
19
- /
29
/
43
25
4
E9PJX5_HUMAN
90
85%
0.56
PF00018
C1_S1
228 -
(80)
19
- /
30
/
46
26
5
B2RA70_HUMAN
89
82%
0.60
PF00018
C3_S1
232 -
(80)
19
- /
29
/
44
26
6
E5RFS5_HUMAN
89
100%
0.78
PF00018
C2_S1
229 -
(80)
19
- /
29
/
45
26
7
SRC_HUMAN
89
100%
0.72
PF00018
C1_S1
236 -
(71)
19
- /
29
/
46
25
8
LCK_HUMAN
87
100%
0.83
PF00018
C2_S1
244 -
(86)
18
- /
32
/
46
27
9
B4DZS7_HUMAN
85
99%
0.83
PF00018
C2_S1
242 -
(84)
18
- /
31
/
46
27
10
Q6NUK7_HUMAN
85
98%
0.80
PF00018
C2_S1
225 -
(81)
19
- /
29
/
46
25
11
B2R8C2_HUMAN
84
85%
0.57
PF00018
C1_S1
243 -
(88)
19
- /
29
/
46
24
12
FRK_HUMAN
84
85%
0.59
PF00018
C1_S1
243 -
(87)
19
- /
29
/
47
24
13
SLAP2_HUMAN
83
57%
0.72
PF00018
C2_S1
246 -
(82)
20
- /
20
/
49
22
14
B0LPF3_HUMAN
79
100%
0.85
PF00018
C2_S1
229 -
(88)
20
4
/
67
/
6
10
15
GRAP_HUMAN
79
67%
0.64
PF00018
C1_S1
242 -
(92)
17
4
/
68
/
5
10
16
Q6FHA6_HUMAN
77
96%
0.72
PF00018
C1_S1
186 -
(2)
18
3
/
67
/
4
9
17
Q5TZW1_HUMAN
36
56%
0.65
PF00018
C2_S1
226 -
(81)
8
- /
6
/
17
4
18
SLAP1_HUMAN
35
57%
0.66
PF00018
C2_S1
228 -
(81)
8
- /
6
/
17
4
19
B3GUD3_HUMAN
29
100%
0.84
PF00018
C1_S1
241 -
(86)
3
- /
1
/
7
0
20
E5RJ69_HUMAN
27
56%
0.60
PF00018
C1_S1
223 -
(80)
3
- /
3
/
15
2
21
A2RQD7_HUMAN
27
99%
0.69
PF00018
C1_S1
256 -
(94)
3
- /
3
/
9
2
22
Q59FK4_HUMAN
25
100%
0.65
PF00018
C1_S1
264 -
(89)
4
- /
3
/
9
1
23
E7EPG8_HUMAN
24
100%
0.81
PF00018
C3_S1
245 -
(75)
2
1
/
1
/
6
1
24
ABL2_HUMAN
23
100%
0.66
PF00018
C2_S1
271 -
(92)
3
- /
2
/
6
1
25
B7Z7F9_HUMAN
23
100%
0.63
PF00018
C2_S1
251 -
(84)
4
- /
2
/
5
1
26
O00428_HUMAN
22
93%
?
PF00018
C3_S1
140 -
(2)
4
- /
3
/
6
1
27
B2R7X4_HUMAN
22
100%
0.66
PF00018
C3_S1
221 -
(74)
4
- /
2
/
5
1
28
A8MY80_HUMAN
22
100%
?
PF00018
C2_S1
152 -
(2)
4
1
/
1
/
7
1
29
SH21A_HUMAN
20
100%
0.52
PF00018
C2_S1
204 -
(74)
1
- /
1
/
3
0
30
ITK_HUMAN
20
92%
0.61
PF00018
C2_S1
162 -
(59)
1
- / - /
1
0
31
Q68CY7_HUMAN
20
92%
0.91
PF00018
C4_S1
192 -
(69)
?
1
/
2
/ -
0
32
Q96EV4_HUMAN
20
84%
0.85
PF00017
C5_S1
22 -
(0)
?
- /
2
/
1
0
33
P85B_HUMAN
20
87%
0.81
PF00018
C4_S1
95 -
(28)
?
1
/
2
/ -
0
34
P85A_HUMAN
20
100%
0.86
PF00018
C4_S1
124 -
(2)
?
1
/
2
/ -
0
35
F5GY79_HUMAN
20
100%
0.59
PF00018
C2_S1
229 -
(87)
1
- / - /
2
0
36
B2RAW1_HUMAN
19
100%
0.61
PF00018
27 -
(2)
1
- / - / -
0
37
B3GUD5_HUMAN
19
100%
0.75
PF00018
C1_S1
219 -
(81)
3
- /
2
/
6
2
38
ZAP70_HUMAN
19
100%
0.79
PF00018
C2_S1
257 -
(79)
2
- /
1
/
9
0
39
E7EMU8_HUMAN
19
91%
0.84
PF00018
C7_S1
194 -
(73)
?
- /
2
/
1
0
40
Q53EL0_HUMAN
19
100%
0.71
PF00018
C3_S1
210 -
(87)
1
- / - /
3
1
41
B7Z2N8_HUMAN
19
100%
0.83
PF00018
C5_S1
135 -
(2)
?
1
/
2
/ -
0
42
H0YBC2_HUMAN
19
100%
0.80
PF00018
C6_S1
143 -
(2)
?
- /
1
/
2
0
43
CRKL_HUMAN
18
100%
0.79
PF00018
C1_S1
248 -
(77)
1
- / - /
2
0
44
CRK_HUMAN
18
100%
0.74
PF00018
C6_S1
215 -
(85)
?
- / - /
2
0
45
Q9H8D5_HUMAN
18
71%
0.43
PF00018
6 -
(0)
?
- / - / -
0
46
A8K709_HUMAN
18
100%
0.70
PF00018
C2_S1
200 -
(66)
2
- / - /
1
0
47
JAK2_HUMAN
18
100%
0.70
PF00018
6 -
(0)
?
- / - / -
0
48
TXK_HUMAN
17
100%
0.62
PF00018
C1_S1
136 -
(37)
2
- / - /
1
0
49
SHIP2_HUMAN
17
100%
0.52
PF00018
C1_S1
184 -
(2)
?
- /
1
/
1
0
50
B4E0E2_HUMAN
17
100%
0.57
PF00018
C6_S1
130 -
(0)
0
- / - /
4
0
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