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
Q9UFN8_HUMAN
17
73%
0.59
PF07653
9 -
(0)
?
- / - / -
0
51
TXK_HUMAN
17
100%
0.62
PF00018
C1_S1
136 -
(37)
2
- / - /
1
0
52
F5GY53_HUMAN
17
93%
0.74
PF00018
C3_S1
116 -
(42)
0
- /
5
/
1
0
53
F5GYM4_HUMAN
17
76%
0.78
PF00018
C1_S1
114 -
(40)
?
- /
4
/
2
0
54
STAP1_HUMAN
17
100%
0.80
PF07653
C2_S1
11 -
(0)
?
1
/ - / -
0
55
C3W980_HUMAN
16
100%
0.56
PF00018
C2_S1
243 -
(95)
1
- /
1
/
8
1
56
B4DLN5_HUMAN
16
93%
0.60
PF00017
C3_S1
125 -
(42)
0
- /
4
/
2
0
57
TENS3_HUMAN
16
71%
0.52
PF07653
7 -
(0)
?
- / - / -
0
58
STAT1_HUMAN
16
100%
0.76
PF02865
C2_S1
15 -
(0)
?
- /
3
/ -
0
59
Q8WWS9_HUMAN
16
97%
0.48
PF02865
19 -
(0)
?
- / - / -
0
60
C3W981_HUMAN
15
100%
0.53
PF00018
C2_S1
225 -
(74)
0
- / - /
3
0
61
DAPP1_HUMAN
15
56%
0.57
PF00018
C2_S1
248 -
(95)
3
- / - /
8
1
62
Q5H9R6_HUMAN
15
100%
0.44
PF07525
23 -
(0)
?
- / - / -
0
63
Q53SD4_HUMAN
15
92%
0.43
PF07653
C6_S1
10 -
(0)
?
1
/ - / -
0
64
TEC_HUMAN
15
57%
0.64
PF00018
C2_S1
105 -
(0)
1
- / - /
1
0
65
FES_HUMAN
15
100%
0.45
PF00018
105 -
(0)
1
- / - / -
0
66
STAT4_HUMAN
14
66%
0.76
PF02865
C1_S1
11 -
(0)
?
- /
3
/ -
0
67
SH2B2_HUMAN
14
96%
0.73
PF00018
C3_S1
148 -
(44)
0
- /
4
/
2
0
68
A8K4G2_HUMAN
14
100%
0.59
PF00018
C3_S1
202 -
(60)
1
- /
1
/
8
1
69
SH21B_HUMAN
14
72%
0.65
PF00018
C2_S1
222 -
(75)
1
- /
1
/
3
0
70
A8K6I5_HUMAN
14
96%
0.55
PF02865
15 -
(0)
?
- / - / -
0
71
Q6N0A7_HUMAN
14
52%
0.89
PF02865
C4_S1
9 -
(0)
?
- /
1
/
2
0
72
E9PF55_HUMAN
14
73%
0.57
PF07653
8 -
(0)
?
- / - / -
0
73
Q5UBZ2_HUMAN
13
47%
0.61
PF00018
10 -
(0)
?
- / - / -
0
74
A1L0S7_HUMAN
13
73%
0.62
PF00018
8 -
(0)
?
- / - / -
0
75
B7Z629_HUMAN
13
99%
0.70
PF00018
C3_S1
215 -
(85)
1
- /
1
/
2
1
76
A8KA25_HUMAN
13
43%
0.59
PF00017
25 -
(0)
?
- / - / -
0
77
Q59H39_HUMAN
13
94%
0.48
PF02865
16 -
(0)
?
- / - / -
0
78
G3V2M6_HUMAN
13
53%
0.73
PF02865
C3_S1
10 -
(0)
?
- /
1
/
2
0
79
D6R919_HUMAN
13
100%
0.61
PF00018
13 -
(0)
?
- / - / -
0
80
STA5A_HUMAN
13
97%
0.48
PF02865
17 -
(0)
?
- / - / -
0
81
B5BTZ6_HUMAN
12
100%
0.55
PF02865
C2_S1
9 -
(0)
?
- /
3
/ -
0
82
VAV2_HUMAN
12
100%
0.66
PF00018
C2_S1
114 -
(2)
?
- / - /
3
0
83
B5BU52_HUMAN
12
97%
0.64
PF00018
C3_S1
277 -
(90)
1
- / - /
1
0
84
A8K910_HUMAN
12
98%
0.72
PF00017
11 -
(0)
?
- / - / -
0
85
B3KWZ7_HUMAN
12
100%
0.71
PF00018
C3_S1
229 -
(87)
1
- /
1
/
2
1
86
F8VRV3_HUMAN
12
47%
0.69
PF07525
C4_S1
26 -
(0)
1
- / - /
1
0
87
B4DVK9_HUMAN
12
100%
0.58
PF00018
C3_S1
168 -
(2)
?
- / - /
1
0
88
VAV3_HUMAN
12
57%
0.61
PF00018
C4_S1
222 -
(76)
?
- / - /
3
0
89
C9JF09_HUMAN
12
100%
0.59
PF00018
C7_S1
221 -
(76)
?
- /
1
/
1
0
90
Q2MD52_HUMAN
12
91%
0.51
PF00018
138 -
(60)
?
- / - / -
0
91
Q53EL3_HUMAN
12
99%
0.64
PF00018
C2_S1
280 -
(90)
1
- / - /
1
0
92
A8K4S9_HUMAN
11
99%
0.69
PF02865
14 -
(0)
?
- / - / -
0
93
F5GZ86_HUMAN
11
100%
0.69
PF02865
13 -
(0)
?
- / - / -
0
94
TENS4_HUMAN
11
58%
0.60
PF00018
10 -
(0)
?
- / - / -
0
95
A7E2A6_HUMAN
11
100%
0.62
PF00018
176 -
(76)
?
- / - / -
0
96
B4E3H3_HUMAN
11
91%
0.70
PF00018
C2_S1
212 -
(74)
?
- / - /
5
0
97
B4DMW5_HUMAN
10
43%
0.59
PF07525
19 -
(0)
?
- / - / -
0
98
Q5TEW3_HUMAN
10
50%
0.52
PF00018
C5_S1
209 -
(85)
?
- /
1
/ -
0
99
B3VCG3_HUMAN
10
28%
0.39
PF07653
12 -
(0)
?
- / - / -
0
100
E9PFM5_HUMAN
9
48%
0.55
PF07653
9 -
(0)
?
- / - / -
0
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