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
E5RFS5_HUMAN
89
100%
0.78
PF00018
C2_S1
229 -
(80)
19
- /
29
/
45
26
51
E5RJ69_HUMAN
27
56%
0.60
PF00018
C1_S1
223 -
(80)
3
- /
3
/
15
2
52
E7EMU8_HUMAN
19
91%
0.84
PF00018
C7_S1
194 -
(73)
?
- /
2
/
1
0
53
E7EPG8_HUMAN
24
100%
0.81
PF00018
C3_S1
245 -
(75)
2
1
/
1
/
6
1
54
E7EWB7_HUMAN
3
49%
0.60
PF00018
108 -
(0)
?
- / - / -
0
55
E9PF55_HUMAN
14
73%
0.57
PF07653
8 -
(0)
?
- / - / -
0
56
E9PFM5_HUMAN
9
48%
0.55
PF07653
9 -
(0)
?
- / - / -
0
57
E9PIJ7_HUMAN
6
97%
0.61
PF00018
C3_S1
102 -
(0)
1
- / - /
1
0
58
E9PJX5_HUMAN
90
85%
0.56
PF00018
C1_S1
228 -
(80)
19
- /
30
/
46
26
59
F1T0G6_HUMAN
6
100%
0.69
PF00018
246 -
(77)
?
- / - / -
0
60
F5GY53_HUMAN
17
93%
0.74
PF00018
C3_S1
116 -
(42)
0
- /
5
/
1
0
61
F5GY79_HUMAN
20
100%
0.59
PF00018
C2_S1
229 -
(87)
1
- / - /
2
0
62
F5GYM4_HUMAN
17
76%
0.78
PF00018
C1_S1
114 -
(40)
?
- /
4
/
2
0
63
F5GZ86_HUMAN
11
100%
0.69
PF02865
13 -
(0)
?
- / - / -
0
64
F8VRV3_HUMAN
12
47%
0.69
PF07525
C4_S1
26 -
(0)
1
- / - /
1
0
65
FER_HUMAN
9
100%
0.56
PF00018
222 -
(77)
1
- / - / -
0
66
FES_HUMAN
15
100%
0.45
PF00018
105 -
(0)
1
- / - / -
0
67
FGR_HUMAN
95
84%
0.72
PF00018
C3_S1
240 -
(82)
19
- /
29
/
47
26
68
FRK_HUMAN
84
85%
0.59
PF00018
C1_S1
243 -
(87)
19
- /
29
/
47
24
69
G3V2M6_HUMAN
13
53%
0.73
PF02865
C3_S1
10 -
(0)
?
- /
1
/
2
0
70
G5E9R1_HUMAN
6
46%
0.64
PF00018
C4_S1
98 -
(0)
1
- / - /
1
0
71
GRAP_HUMAN
79
67%
0.64
PF00018
C1_S1
242 -
(92)
17
4
/
68
/
5
10
72
H0Y5X5_HUMAN
9
46%
0.61
PF00018
C4_S1
165 -
(63)
1
- / - /
1
0
73
H0YBC2_HUMAN
19
100%
0.80
PF00018
C6_S1
143 -
(2)
?
- /
1
/
2
0
74
H0YD89_HUMAN
3
45%
0.64
PF00018
237 -
(90)
?
- / - / -
0
75
H3BU69_HUMAN
6
98%
0.62
PF00018
226 -
(92)
?
- / - / -
0
76
HCK_HUMAN
103
100%
0.73
PF00018
C1_S1
248 -
(89)
19
- /
29
/
46
26
77
HSH2D_HUMAN
5
100%
0.56
PF00017
114 -
(2)
?
- / - / -
0
78
ITK_HUMAN
20
92%
0.61
PF00018
C2_S1
162 -
(59)
1
- / - /
1
0
79
JAK2_HUMAN
18
100%
0.70
PF00018
6 -
(0)
?
- / - / -
0
80
LCK_HUMAN
87
100%
0.83
PF00018
C2_S1
244 -
(86)
18
- /
32
/
46
27
81
O00428_HUMAN
22
93%
?
PF00018
C3_S1
140 -
(2)
4
- /
3
/
6
1
82
P85A_HUMAN
20
100%
0.86
PF00018
C4_S1
124 -
(2)
?
1
/
2
/ -
0
83
P85B_HUMAN
20
87%
0.81
PF00018
C4_S1
95 -
(28)
?
1
/
2
/ -
0
84
PLCG1_HUMAN
5
100%
0.72
PF00018
215 -
(81)
?
- / - / -
0
85
PTK6_HUMAN
6
100%
0.53
PF00018
254 -
(84)
0
- / - / -
0
86
Q16176_HUMAN
8
96%
0.69
PF00018
235 -
(77)
?
- / - / -
0
87
Q2MD52_HUMAN
12
91%
0.51
PF00018
138 -
(60)
?
- / - / -
0
88
Q53EL0_HUMAN
19
100%
0.71
PF00018
C3_S1
210 -
(87)
1
- / - /
3
1
89
Q53EL3_HUMAN
12
99%
0.64
PF00018
C2_S1
280 -
(90)
1
- / - /
1
0
90
Q53SD4_HUMAN
15
92%
0.43
PF07653
C6_S1
10 -
(0)
?
1
/ - / -
0
91
Q53TG4_HUMAN
9
100%
0.62
PF00018
C2_S1
241 -
(92)
0
- /
7
/ -
0
92
Q59FK4_HUMAN
25
100%
0.65
PF00018
C1_S1
264 -
(89)
4
- /
3
/
9
1
93
Q59H39_HUMAN
13
94%
0.48
PF02865
16 -
(0)
?
- / - / -
0
94
Q5H9R6_HUMAN
15
100%
0.44
PF07525
23 -
(0)
?
- / - / -
0
95
Q5JY90_HUMAN
8
93%
0.54
PF00018
45 -
(2)
?
- / - / -
0
96
Q5TEW3_HUMAN
10
50%
0.52
PF00018
C5_S1
209 -
(85)
?
- /
1
/ -
0
97
Q5TZW1_HUMAN
36
56%
0.65
PF00018
C2_S1
226 -
(81)
8
- /
6
/
17
4
98
Q5U0H7_HUMAN
9
100%
0.56
PF00018
C4_S1
101 -
(30)
?
- /
4
/ -
0
99
Q5UBZ1_HUMAN
6
47%
0.66
PF00018
132 -
(2)
?
- / - / -
0
100
Q5UBZ2_HUMAN
13
47%
0.61
PF00018
10 -
(0)
?
- / - / -
0
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