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
A8K910_HUMAN
12
98%
0.72
PF00017
11 -
(0)
?
- / - / -
0
2
B4DLN5_HUMAN
16
93%
0.60
PF00017
C3_S1
125 -
(42)
0
- /
4
/
2
0
3
HSH2D_HUMAN
5
100%
0.56
PF00017
114 -
(2)
?
- / - / -
0
4
Q96EV4_HUMAN
20
84%
0.85
PF00017
C5_S1
22 -
(0)
?
- /
2
/
1
0
5
A8KA25_HUMAN
13
43%
0.59
PF00017
25 -
(0)
?
- / - / -
0
6
BLNK_HUMAN
7
33%
0.68
PF00018
12 -
(0)
?
- / - / -
0
7
B2RAW1_HUMAN
19
100%
0.61
PF00018
27 -
(2)
1
- / - / -
0
8
H0YD89_HUMAN
3
45%
0.64
PF00018
237 -
(90)
?
- / - / -
0
9
SRC_HUMAN
89
100%
0.72
PF00018
C1_S1
236 -
(71)
19
- /
29
/
46
25
10
Q8N381_HUMAN
9
79%
0.80
PF00018
C3_S1
250 -
(84)
1
- /
1
/
2
1
11
B7Z629_HUMAN
13
99%
0.70
PF00018
C3_S1
215 -
(85)
1
- /
1
/
2
1
12
DAPP1_HUMAN
15
56%
0.57
PF00018
C2_S1
248 -
(95)
3
- / - /
8
1
13
B3KWZ7_HUMAN
12
100%
0.71
PF00018
C3_S1
229 -
(87)
1
- /
1
/
2
1
14
GRAP_HUMAN
79
67%
0.64
PF00018
C1_S1
242 -
(92)
17
4
/
68
/
5
10
15
C9JAB9_HUMAN
9
100%
0.61
PF00018
C2_S1
239 -
(93)
?
- /
7
/ -
0
16
Q53TG4_HUMAN
9
100%
0.62
PF00018
C2_S1
241 -
(92)
0
- /
7
/ -
0
17
B5BU52_HUMAN
12
97%
0.64
PF00018
C3_S1
277 -
(90)
1
- / - /
1
0
18
B0LPF3_HUMAN
79
100%
0.85
PF00018
C2_S1
229 -
(88)
20
4
/
67
/
6
10
19
SRMS_HUMAN
4
45%
0.69
PF00018
243 -
(83)
0
- / - / -
0
20
Q59FK4_HUMAN
25
100%
0.65
PF00018
C1_S1
264 -
(89)
4
- /
3
/
9
1
21
ABL2_HUMAN
23
100%
0.66
PF00018
C2_S1
271 -
(92)
3
- /
2
/
6
1
22
Q53EL3_HUMAN
12
99%
0.64
PF00018
C2_S1
280 -
(90)
1
- / - /
1
0
23
E5RFS5_HUMAN
89
100%
0.78
PF00018
C2_S1
229 -
(80)
19
- /
29
/
45
26
24
Q5UBZ2_HUMAN
13
47%
0.61
PF00018
10 -
(0)
?
- / - / -
0
25
B2RA70_HUMAN
89
82%
0.60
PF00018
C3_S1
232 -
(80)
19
- /
29
/
44
26
26
E9PJX5_HUMAN
90
85%
0.56
PF00018
C1_S1
228 -
(80)
19
- /
30
/
46
26
27
FGR_HUMAN
95
84%
0.72
PF00018
C3_S1
240 -
(82)
19
- /
29
/
47
26
28
A2RQD7_HUMAN
27
99%
0.69
PF00018
C1_S1
256 -
(94)
3
- /
3
/
9
2
29
YES_HUMAN
91
83%
0.65
PF00018
C3_S1
232 -
(80)
19
- /
29
/
43
25
30
B4DZS7_HUMAN
85
99%
0.83
PF00018
C2_S1
242 -
(84)
18
- /
31
/
46
27
31
Q6NUK7_HUMAN
85
98%
0.80
PF00018
C2_S1
225 -
(81)
19
- /
29
/
46
25
32
LCK_HUMAN
87
100%
0.83
PF00018
C2_S1
244 -
(86)
18
- /
32
/
46
27
33
SLAP1_HUMAN
35
57%
0.66
PF00018
C2_S1
228 -
(81)
8
- /
6
/
17
4
34
Q5TZW1_HUMAN
36
56%
0.65
PF00018
C2_S1
226 -
(81)
8
- /
6
/
17
4
35
FRK_HUMAN
84
85%
0.59
PF00018
C1_S1
243 -
(87)
19
- /
29
/
47
24
36
E5RJ69_HUMAN
27
56%
0.60
PF00018
C1_S1
223 -
(80)
3
- /
3
/
15
2
37
B2R8C2_HUMAN
84
85%
0.57
PF00018
C1_S1
243 -
(88)
19
- /
29
/
46
24
38
SLAP2_HUMAN
83
57%
0.72
PF00018
C2_S1
246 -
(82)
20
- /
20
/
49
22
39
HCK_HUMAN
103
100%
0.73
PF00018
C1_S1
248 -
(89)
19
- /
29
/
46
26
40
PTK6_HUMAN
6
100%
0.53
PF00018
254 -
(84)
0
- / - / -
0
41
SOCS1_HUMAN
6
41%
0.64
PF00018
98 -
(36)
?
- / - / -
0
42
Q9H8D5_HUMAN
18
71%
0.43
PF00018
6 -
(0)
?
- / - / -
0
43
SHB_HUMAN
5
42%
0.55
PF00018
51 -
(2)
?
- / - / -
0
44
P85B_HUMAN
20
87%
0.81
PF00018
C4_S1
95 -
(28)
?
1
/
2
/ -
0
45
Q5JY90_HUMAN
8
93%
0.54
PF00018
45 -
(2)
?
- / - / -
0
46
Q5U0H7_HUMAN
9
100%
0.56
PF00018
C4_S1
101 -
(30)
?
- /
4
/ -
0
47
B5MDS8_HUMAN
7
63%
0.47
PF00018
C3_S1
111 -
(27)
?
- /
1
/
1
0
48
F5GYM4_HUMAN
17
76%
0.78
PF00018
C1_S1
114 -
(40)
?
- /
4
/
2
0
49
SOCS7_HUMAN
8
59%
0.40
PF00018
C5_S1
111 -
(26)
?
- /
1
/ -
0
50
F5GY53_HUMAN
17
93%
0.74
PF00018
C3_S1
116 -
(42)
0
- /
5
/
1
0
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