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
Q68CY7_HUMAN
20
92%
0.91
PF00018
C4_S1
192 -
(69)
?
1
/
2
/ -
0
2
Q6N0A7_HUMAN
14
52%
0.89
PF02865
C4_S1
9 -
(0)
?
- /
1
/
2
0
3
P85A_HUMAN
20
100%
0.86
PF00018
C4_S1
124 -
(2)
?
1
/
2
/ -
0
4
Q96EV4_HUMAN
20
84%
0.85
PF00017
C5_S1
22 -
(0)
?
- /
2
/
1
0
5
B0LPF3_HUMAN
79
100%
0.85
PF00018
C2_S1
229 -
(88)
20
4
/
67
/
6
10
6
B3GUD3_HUMAN
29
100%
0.84
PF00018
C1_S1
241 -
(86)
3
- /
1
/
7
0
7
E7EMU8_HUMAN
19
91%
0.84
PF00018
C7_S1
194 -
(73)
?
- /
2
/
1
0
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
B7Z2N8_HUMAN
19
100%
0.83
PF00018
C5_S1
135 -
(2)
?
1
/
2
/ -
0
11
P85B_HUMAN
20
87%
0.81
PF00018
C4_S1
95 -
(28)
?
1
/
2
/ -
0
12
E7EPG8_HUMAN
24
100%
0.81
PF00018
C3_S1
245 -
(75)
2
1
/
1
/
6
1
13
Q6NUK7_HUMAN
85
98%
0.80
PF00018
C2_S1
225 -
(81)
19
- /
29
/
46
25
14
STAP1_HUMAN
17
100%
0.80
PF07653
C2_S1
11 -
(0)
?
1
/ - / -
0
15
H0YBC2_HUMAN
19
100%
0.80
PF00018
C6_S1
143 -
(2)
?
- /
1
/
2
0
16
Q8N381_HUMAN
9
79%
0.80
PF00018
C3_S1
250 -
(84)
1
- /
1
/
2
1
17
B4DL02_HUMAN
3
98%
0.79
PF00018
C1_S1
215 -
(77)
?
- / - /
1
0
18
CRKL_HUMAN
18
100%
0.79
PF00018
C1_S1
248 -
(77)
1
- / - /
2
0
19
ZAP70_HUMAN
19
100%
0.79
PF00018
C2_S1
257 -
(79)
2
- /
1
/
9
0
20
F5GYM4_HUMAN
17
76%
0.78
PF00018
C1_S1
114 -
(40)
?
- /
4
/
2
0
21
E5RFS5_HUMAN
89
100%
0.78
PF00018
C2_S1
229 -
(80)
19
- /
29
/
45
26
22
STAT4_HUMAN
14
66%
0.76
PF02865
C1_S1
11 -
(0)
?
- /
3
/ -
0
23
STAT1_HUMAN
16
100%
0.76
PF02865
C2_S1
15 -
(0)
?
- /
3
/ -
0
24
B3GUD5_HUMAN
19
100%
0.75
PF00018
C1_S1
219 -
(81)
3
- /
2
/
6
2
25
CRK_HUMAN
18
100%
0.74
PF00018
C6_S1
215 -
(85)
?
- / - /
2
0
26
SHC3_HUMAN
3
65%
0.74
PF00018
C2_S1
220 -
(83)
?
- / - /
1
0
27
F5GY53_HUMAN
17
93%
0.74
PF00018
C3_S1
116 -
(42)
0
- /
5
/
1
0
28
HCK_HUMAN
103
100%
0.73
PF00018
C1_S1
248 -
(89)
19
- /
29
/
46
26
29
G3V2M6_HUMAN
13
53%
0.73
PF02865
C3_S1
10 -
(0)
?
- /
1
/
2
0
30
SH2B2_HUMAN
14
96%
0.73
PF00018
C3_S1
148 -
(44)
0
- /
4
/
2
0
31
SRC_HUMAN
89
100%
0.72
PF00018
C1_S1
236 -
(71)
19
- /
29
/
46
25
32
SLAP2_HUMAN
83
57%
0.72
PF00018
C2_S1
246 -
(82)
20
- /
20
/
49
22
33
A8K910_HUMAN
12
98%
0.72
PF00017
11 -
(0)
?
- / - / -
0
34
FGR_HUMAN
95
84%
0.72
PF00018
C3_S1
240 -
(82)
19
- /
29
/
47
26
35
B4DMA3_HUMAN
6
99%
0.72
PF00018
227 -
(81)
?
- / - / -
0
36
Q6FHA6_HUMAN
77
96%
0.72
PF00018
C1_S1
186 -
(2)
18
3
/
67
/
4
9
37
PLCG1_HUMAN
5
100%
0.72
PF00018
215 -
(81)
?
- / - / -
0
38
B3KWZ7_HUMAN
12
100%
0.71
PF00018
C3_S1
229 -
(87)
1
- /
1
/
2
1
39
Q53EL0_HUMAN
19
100%
0.71
PF00018
C3_S1
210 -
(87)
1
- / - /
3
1
40
B7Z629_HUMAN
13
99%
0.70
PF00018
C3_S1
215 -
(85)
1
- /
1
/
2
1
41
SHD_HUMAN
3
56%
0.70
PF00018
162 -
(2)
?
- / - / -
0
42
A8K709_HUMAN
18
100%
0.70
PF00018
C2_S1
200 -
(66)
2
- / - /
1
0
43
B4E3H3_HUMAN
11
91%
0.70
PF00018
C2_S1
212 -
(74)
?
- / - /
5
0
44
JAK2_HUMAN
18
100%
0.70
PF00018
6 -
(0)
?
- / - / -
0
45
Q9NPN8_HUMAN
2
46%
0.69
PF00018
168 -
(2)
?
- / - / -
0
46
B7Z1V0_HUMAN
5
79%
0.69
PF00018
149 -
(0)
0
- / - / -
0
47
F5GZ86_HUMAN
11
100%
0.69
PF02865
13 -
(0)
?
- / - / -
0
48
A8K4S9_HUMAN
11
99%
0.69
PF02865
14 -
(0)
?
- / - / -
0
49
B3KWE9_HUMAN
5
73%
0.69
PF00018
C1_S1
210 -
(87)
?
- / - /
1
0
50
F1T0G6_HUMAN
6
100%
0.69
PF00018
246 -
(77)
?
- / - / -
0
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