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
C3W980_HUMAN
16
100%
0.56
PF00018
C2_S1
243 -
(95)
1
- /
1
/
8
1
51
B3GUD3_HUMAN
29
100%
0.84
PF00018
C1_S1
241 -
(86)
3
- /
1
/
7
0
52
SH21B_HUMAN
14
72%
0.65
PF00018
C2_S1
222 -
(75)
1
- /
1
/
3
0
53
SH21A_HUMAN
20
100%
0.52
PF00018
C2_S1
204 -
(74)
1
- /
1
/
3
0
54
G3V2M6_HUMAN
13
53%
0.73
PF02865
C3_S1
10 -
(0)
?
- /
1
/
2
0
55
B3KWZ7_HUMAN
12
100%
0.71
PF00018
C3_S1
229 -
(87)
1
- /
1
/
2
1
56
Q6N0A7_HUMAN
14
52%
0.89
PF02865
C4_S1
9 -
(0)
?
- /
1
/
2
0
57
Q8N381_HUMAN
9
79%
0.80
PF00018
C3_S1
250 -
(84)
1
- /
1
/
2
1
58
B7Z629_HUMAN
13
99%
0.70
PF00018
C3_S1
215 -
(85)
1
- /
1
/
2
1
59
H0YBC2_HUMAN
19
100%
0.80
PF00018
C6_S1
143 -
(2)
?
- /
1
/
2
0
60
C9JF09_HUMAN
12
100%
0.59
PF00018
C7_S1
221 -
(76)
?
- /
1
/
1
0
61
SHIP2_HUMAN
17
100%
0.52
PF00018
C1_S1
184 -
(2)
?
- /
1
/
1
0
62
B5MDS8_HUMAN
7
63%
0.47
PF00018
C3_S1
111 -
(27)
?
- /
1
/
1
0
63
SOCS7_HUMAN
8
59%
0.40
PF00018
C5_S1
111 -
(26)
?
- /
1
/ -
0
64
A8K2M8_HUMAN
7
50%
0.61
PF00018
C2_S1
110 -
(0)
?
- /
1
/ -
0
65
Q5TEW3_HUMAN
10
50%
0.52
PF00018
C5_S1
209 -
(85)
?
- /
1
/ -
0
66
DAPP1_HUMAN
15
56%
0.57
PF00018
C2_S1
248 -
(95)
3
- / - /
8
1
67
B4E3H3_HUMAN
11
91%
0.70
PF00018
C2_S1
212 -
(74)
?
- / - /
5
0
68
B4E0E2_HUMAN
17
100%
0.57
PF00018
C6_S1
130 -
(0)
0
- / - /
4
0
69
C3W981_HUMAN
15
100%
0.53
PF00018
C2_S1
225 -
(74)
0
- / - /
3
0
70
VAV3_HUMAN
12
57%
0.61
PF00018
C4_S1
222 -
(76)
?
- / - /
3
0
71
Q53EL0_HUMAN
19
100%
0.71
PF00018
C3_S1
210 -
(87)
1
- / - /
3
1
72
VAV2_HUMAN
12
100%
0.66
PF00018
C2_S1
114 -
(2)
?
- / - /
3
0
73
CRK_HUMAN
18
100%
0.74
PF00018
C6_S1
215 -
(85)
?
- / - /
2
0
74
F5GY79_HUMAN
20
100%
0.59
PF00018
C2_S1
229 -
(87)
1
- / - /
2
0
75
CRKL_HUMAN
18
100%
0.79
PF00018
C1_S1
248 -
(77)
1
- / - /
2
0
76
B4DVK9_HUMAN
12
100%
0.58
PF00018
C3_S1
168 -
(2)
?
- / - /
1
0
77
B3KWE9_HUMAN
5
73%
0.69
PF00018
C1_S1
210 -
(87)
?
- / - /
1
0
78
SHC2_HUMAN
5
72%
0.67
PF00018
C3_S1
214 -
(79)
?
- / - /
1
0
79
SHC3_HUMAN
3
65%
0.74
PF00018
C2_S1
220 -
(83)
?
- / - /
1
0
80
E9PIJ7_HUMAN
6
97%
0.61
PF00018
C3_S1
102 -
(0)
1
- / - /
1
0
81
B5BU52_HUMAN
12
97%
0.64
PF00018
C3_S1
277 -
(90)
1
- / - /
1
0
82
Q53EL3_HUMAN
12
99%
0.64
PF00018
C2_S1
280 -
(90)
1
- / - /
1
0
83
A8K709_HUMAN
18
100%
0.70
PF00018
C2_S1
200 -
(66)
2
- / - /
1
0
84
B4DL02_HUMAN
3
98%
0.79
PF00018
C1_S1
215 -
(77)
?
- / - /
1
0
85
G5E9R1_HUMAN
6
46%
0.64
PF00018
C4_S1
98 -
(0)
1
- / - /
1
0
86
TXK_HUMAN
17
100%
0.62
PF00018
C1_S1
136 -
(37)
2
- / - /
1
0
87
TEC_HUMAN
15
57%
0.64
PF00018
C2_S1
105 -
(0)
1
- / - /
1
0
88
F8VRV3_HUMAN
12
47%
0.69
PF07525
C4_S1
26 -
(0)
1
- / - /
1
0
89
H0Y5X5_HUMAN
9
46%
0.61
PF00018
C4_S1
165 -
(63)
1
- / - /
1
0
90
ITK_HUMAN
20
92%
0.61
PF00018
C2_S1
162 -
(59)
1
- / - /
1
0
91
Q5UBZ2_HUMAN
13
47%
0.61
PF00018
10 -
(0)
?
- / - / -
0
92
HSH2D_HUMAN
5
100%
0.56
PF00017
114 -
(2)
?
- / - / -
0
93
CHIN_HUMAN
6
100%
0.64
PF00018
207 -
(1)
?
- / - / -
0
94
TENS4_HUMAN
11
58%
0.60
PF00018
10 -
(0)
?
- / - / -
0
95
FES_HUMAN
15
100%
0.45
PF00018
105 -
(0)
1
- / - / -
0
96
SHB_HUMAN
5
42%
0.55
PF00018
51 -
(2)
?
- / - / -
0
97
H3BU69_HUMAN
6
98%
0.62
PF00018
226 -
(92)
?
- / - / -
0
98
Q59H39_HUMAN
13
94%
0.48
PF02865
16 -
(0)
?
- / - / -
0
99
E7EWB7_HUMAN
3
49%
0.60
PF00018
108 -
(0)
?
- / - / -
0
100
SHD_HUMAN
3
56%
0.70
PF00018
162 -
(2)
?
- / - / -
0
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