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]
50
ABL2_HUMAN
23
100%
0.66
PF00018
C2_S1
271 -
(92)
3
- /
2
/
6
1
51
A8K709_HUMAN
18
100%
0.70
PF00018
C2_S1
200 -
(66)
2
- / - /
1
0
52
HSH2D_HUMAN
5
100%
0.56
PF00017
114 -
(2)
?
- / - / -
0
53
D6R919_HUMAN
13
100%
0.61
PF00018
13 -
(0)
?
- / - / -
0
54
STAP1_HUMAN
17
100%
0.80
PF07653
C2_S1
11 -
(0)
?
1
/ - / -
0
55
B4DMA3_HUMAN
6
99%
0.72
PF00018
227 -
(81)
?
- / - / -
0
56
B7Z629_HUMAN
13
99%
0.70
PF00018
C3_S1
215 -
(85)
1
- /
1
/
2
1
57
B4DTX4_HUMAN
5
99%
0.62
PF00102
44 -
(2)
?
- / - / -
0
58
A8K4S9_HUMAN
11
99%
0.69
PF02865
14 -
(0)
?
- / - / -
0
59
A2RQD7_HUMAN
27
99%
0.69
PF00018
C1_S1
256 -
(94)
3
- /
3
/
9
2
60
B4DZS7_HUMAN
85
99%
0.83
PF00018
C2_S1
242 -
(84)
18
- /
31
/
46
27
61
Q53EL3_HUMAN
12
99%
0.64
PF00018
C2_S1
280 -
(90)
1
- / - /
1
0
62
B4DL02_HUMAN
3
98%
0.79
PF00018
C1_S1
215 -
(77)
?
- / - /
1
0
63
H3BU69_HUMAN
6
98%
0.62
PF00018
226 -
(92)
?
- / - / -
0
64
A8K910_HUMAN
12
98%
0.72
PF00017
11 -
(0)
?
- / - / -
0
65
Q6NUK7_HUMAN
85
98%
0.80
PF00018
C2_S1
225 -
(81)
19
- /
29
/
46
25
66
B5BU52_HUMAN
12
97%
0.64
PF00018
C3_S1
277 -
(90)
1
- / - /
1
0
67
STA5A_HUMAN
13
97%
0.48
PF02865
17 -
(0)
?
- / - / -
0
68
Q8WWS9_HUMAN
16
97%
0.48
PF02865
19 -
(0)
?
- / - / -
0
69
E9PIJ7_HUMAN
6
97%
0.61
PF00018
C3_S1
102 -
(0)
1
- / - /
1
0
70
A8K6I5_HUMAN
14
96%
0.55
PF02865
15 -
(0)
?
- / - / -
0
71
Q16176_HUMAN
8
96%
0.69
PF00018
235 -
(77)
?
- / - / -
0
72
Q6FHA6_HUMAN
77
96%
0.72
PF00018
C1_S1
186 -
(2)
18
3
/
67
/
4
9
73
SH2B2_HUMAN
14
96%
0.73
PF00018
C3_S1
148 -
(44)
0
- /
4
/
2
0
74
Q59H39_HUMAN
13
94%
0.48
PF02865
16 -
(0)
?
- / - / -
0
75
Q5JY90_HUMAN
8
93%
0.54
PF00018
45 -
(2)
?
- / - / -
0
76
F5GY53_HUMAN
17
93%
0.74
PF00018
C3_S1
116 -
(42)
0
- /
5
/
1
0
77
B4DLN5_HUMAN
16
93%
0.60
PF00017
C3_S1
125 -
(42)
0
- /
4
/
2
0
78
O00428_HUMAN
22
93%
?
PF00018
C3_S1
140 -
(2)
4
- /
3
/
6
1
79
ITK_HUMAN
20
92%
0.61
PF00018
C2_S1
162 -
(59)
1
- / - /
1
0
80
Q68CY7_HUMAN
20
92%
0.91
PF00018
C4_S1
192 -
(69)
?
1
/
2
/ -
0
81
Q53SD4_HUMAN
15
92%
0.43
PF07653
C6_S1
10 -
(0)
?
1
/ - / -
0
82
Q2MD52_HUMAN
12
91%
0.51
PF00018
138 -
(60)
?
- / - / -
0
83
B4E3H3_HUMAN
11
91%
0.70
PF00018
C2_S1
212 -
(74)
?
- / - /
5
0
84
E7EMU8_HUMAN
19
91%
0.84
PF00018
C7_S1
194 -
(73)
?
- /
2
/
1
0
85
P85B_HUMAN
20
87%
0.81
PF00018
C4_S1
95 -
(28)
?
1
/
2
/ -
0
86
FRK_HUMAN
84
85%
0.59
PF00018
C1_S1
243 -
(87)
19
- /
29
/
47
24
87
E9PJX5_HUMAN
90
85%
0.56
PF00018
C1_S1
228 -
(80)
19
- /
30
/
46
26
88
B2R8C2_HUMAN
84
85%
0.57
PF00018
C1_S1
243 -
(88)
19
- /
29
/
46
24
89
FGR_HUMAN
95
84%
0.72
PF00018
C3_S1
240 -
(82)
19
- /
29
/
47
26
90
Q96EV4_HUMAN
20
84%
0.85
PF00017
C5_S1
22 -
(0)
?
- /
2
/
1
0
91
YES_HUMAN
91
83%
0.65
PF00018
C3_S1
232 -
(80)
19
- /
29
/
43
25
92
B2RA70_HUMAN
89
82%
0.60
PF00018
C3_S1
232 -
(80)
19
- /
29
/
44
26
93
B7Z1V0_HUMAN
5
79%
0.69
PF00018
149 -
(0)
0
- / - / -
0
94
Q8N381_HUMAN
9
79%
0.80
PF00018
C3_S1
250 -
(84)
1
- /
1
/
2
1
95
F5GYM4_HUMAN
17
76%
0.78
PF00018
C1_S1
114 -
(40)
?
- /
4
/
2
0
96
E9PF55_HUMAN
14
73%
0.57
PF07653
8 -
(0)
?
- / - / -
0
97
A1L0S7_HUMAN
13
73%
0.62
PF00018
8 -
(0)
?
- / - / -
0
98
Q9UFN8_HUMAN
17
73%
0.59
PF07653
9 -
(0)
?
- / - / -
0
99
B3KWE9_HUMAN
5
73%
0.69
PF00018
C1_S1
210 -
(87)
?
- / - /
1
0
100
SH21B_HUMAN
14
72%
0.65
PF00018
C2_S1
222 -
(75)
1
- /
1
/
3
0
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