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
F5GY53_HUMAN
17
93%
0.74
PF00018
C3_S1
116 -
(42)
0
- /
5
/
1
0
51
TXK_HUMAN
17
100%
0.62
PF00018
C1_S1
136 -
(37)
2
- / - /
1
0
52
A1L0S7_HUMAN
13
73%
0.62
PF00018
8 -
(0)
?
- / - / -
0
53
SH2B2_HUMAN
14
96%
0.73
PF00018
C3_S1
148 -
(44)
0
- /
4
/
2
0
54
G5E9R1_HUMAN
6
46%
0.64
PF00018
C4_S1
98 -
(0)
1
- / - /
1
0
55
TENS4_HUMAN
11
58%
0.60
PF00018
10 -
(0)
?
- / - / -
0
56
A8K4G2_HUMAN
14
100%
0.59
PF00018
C3_S1
202 -
(60)
1
- /
1
/
8
1
57
E9PIJ7_HUMAN
6
97%
0.61
PF00018
C3_S1
102 -
(0)
1
- / - /
1
0
58
A7E2A6_HUMAN
11
100%
0.62
PF00018
176 -
(76)
?
- / - / -
0
59
O00428_HUMAN
22
93%
?
PF00018
C3_S1
140 -
(2)
4
- /
3
/
6
1
60
FES_HUMAN
15
100%
0.45
PF00018
105 -
(0)
1
- / - / -
0
61
TEC_HUMAN
15
57%
0.64
PF00018
C2_S1
105 -
(0)
1
- / - /
1
0
62
B4E0E2_HUMAN
17
100%
0.57
PF00018
C6_S1
130 -
(0)
0
- / - /
4
0
63
P85A_HUMAN
20
100%
0.86
PF00018
C4_S1
124 -
(2)
?
1
/
2
/ -
0
64
B7Z2N8_HUMAN
19
100%
0.83
PF00018
C5_S1
135 -
(2)
?
1
/
2
/ -
0
65
A8MY80_HUMAN
22
100%
?
PF00018
C2_S1
152 -
(2)
4
1
/
1
/
7
1
66
B3GUD3_HUMAN
29
100%
0.84
PF00018
C1_S1
241 -
(86)
3
- /
1
/
7
0
67
JAK2_HUMAN
18
100%
0.70
PF00018
6 -
(0)
?
- / - / -
0
68
Q5UBZ1_HUMAN
6
47%
0.66
PF00018
132 -
(2)
?
- / - / -
0
69
Q5VZS4_HUMAN
7
47%
0.64
PF00018
154 -
(2)
?
- / - / -
0
70
H0YBC2_HUMAN
19
100%
0.80
PF00018
C6_S1
143 -
(2)
?
- /
1
/
2
0
71
SOCS6_HUMAN
8
100%
0.66
PF00018
C4_S1
185 -
(73)
1
2
/ - /
1
0
72
SHE_HUMAN
5
37%
0.65
PF00018
109 -
(0)
?
- / - / -
0
73
H0Y5X5_HUMAN
9
46%
0.61
PF00018
C4_S1
165 -
(63)
1
- / - /
1
0
74
Q2MD52_HUMAN
12
91%
0.51
PF00018
138 -
(60)
?
- / - / -
0
75
A8K2M8_HUMAN
7
50%
0.61
PF00018
C2_S1
110 -
(0)
?
- /
1
/ -
0
76
B7Z1V0_HUMAN
5
79%
0.69
PF00018
149 -
(0)
0
- / - / -
0
77
B2R7X4_HUMAN
22
100%
0.66
PF00018
C3_S1
221 -
(74)
4
- /
2
/
5
1
78
D6R919_HUMAN
13
100%
0.61
PF00018
13 -
(0)
?
- / - / -
0
79
E7EMU8_HUMAN
19
91%
0.84
PF00018
C7_S1
194 -
(73)
?
- /
2
/
1
0
80
SHC3_HUMAN
3
65%
0.74
PF00018
C2_S1
220 -
(83)
?
- / - /
1
0
81
Q68CY7_HUMAN
20
92%
0.91
PF00018
C4_S1
192 -
(69)
?
1
/
2
/ -
0
82
SH24A_HUMAN
4
39%
0.42
PF00018
202 -
(80)
?
- / - / -
0
83
SH24B_HUMAN
3
49%
0.52
PF00018
187 -
(2)
?
- / - / -
0
84
B4DL02_HUMAN
3
98%
0.79
PF00018
C1_S1
215 -
(77)
?
- / - /
1
0
85
C9JF09_HUMAN
12
100%
0.59
PF00018
C7_S1
221 -
(76)
?
- /
1
/
1
0
86
ITK_HUMAN
20
92%
0.61
PF00018
C2_S1
162 -
(59)
1
- / - /
1
0
87
SHC2_HUMAN
5
72%
0.67
PF00018
C3_S1
214 -
(79)
?
- / - /
1
0
88
B4DVK9_HUMAN
12
100%
0.58
PF00018
C3_S1
168 -
(2)
?
- / - /
1
0
89
VAV3_HUMAN
12
57%
0.61
PF00018
C4_S1
222 -
(76)
?
- / - /
3
0
90
H3BU69_HUMAN
6
98%
0.62
PF00018
226 -
(92)
?
- / - / -
0
91
A8K709_HUMAN
18
100%
0.70
PF00018
C2_S1
200 -
(66)
2
- / - /
1
0
92
FER_HUMAN
9
100%
0.56
PF00018
222 -
(77)
1
- / - / -
0
93
F1T0G6_HUMAN
6
100%
0.69
PF00018
246 -
(77)
?
- / - / -
0
94
Q16176_HUMAN
8
96%
0.69
PF00018
235 -
(77)
?
- / - / -
0
95
CHIN_HUMAN
6
100%
0.64
PF00018
207 -
(1)
?
- / - / -
0
96
Q5TEW3_HUMAN
10
50%
0.52
PF00018
C5_S1
209 -
(85)
?
- /
1
/ -
0
97
SH21A_HUMAN
20
100%
0.52
PF00018
C2_S1
204 -
(74)
1
- /
1
/
3
0
98
B3GUD5_HUMAN
19
100%
0.75
PF00018
C1_S1
219 -
(81)
3
- /
2
/
6
2
99
SH2D7_HUMAN
5
43%
0.55
PF00018
203 -
(80)
1
- / - / -
0
100
E7EPG8_HUMAN
24
100%
0.81
PF00018
C3_S1
245 -
(75)
2
1
/
1
/
6
1
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