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]
100
Q5UBZ2_HUMAN
13
47%
0.61
PF00018
10 -
(0)
?
- / - / -
0
101
Q5VZS4_HUMAN
7
47%
0.64
PF00018
154 -
(2)
?
- / - / -
0
102
Q68CY7_HUMAN
20
92%
0.91
PF00018
C4_S1
192 -
(69)
?
1
/
2
/ -
0
103
Q6FHA6_HUMAN
77
96%
0.72
PF00018
C1_S1
186 -
(2)
18
3
/
67
/
4
9
104
Q6N0A7_HUMAN
14
52%
0.89
PF02865
C4_S1
9 -
(0)
?
- /
1
/
2
0
105
Q6NUK7_HUMAN
85
98%
0.80
PF00018
C2_S1
225 -
(81)
19
- /
29
/
46
25
106
Q8N381_HUMAN
9
79%
0.80
PF00018
C3_S1
250 -
(84)
1
- /
1
/
2
1
107
Q8WWS9_HUMAN
16
97%
0.48
PF02865
19 -
(0)
?
- / - / -
0
108
Q96EV4_HUMAN
20
84%
0.85
PF00017
C5_S1
22 -
(0)
?
- /
2
/
1
0
109
Q9H8D5_HUMAN
18
71%
0.43
PF00018
6 -
(0)
?
- / - / -
0
110
Q9NPN8_HUMAN
2
46%
0.69
PF00018
168 -
(2)
?
- / - / -
0
111
Q9UFN8_HUMAN
17
73%
0.59
PF07653
9 -
(0)
?
- / - / -
0
112
RASA1_HUMAN
4
100%
0.66
PF00102
44 -
(2)
?
- / - / -
0
113
SH21A_HUMAN
20
100%
0.52
PF00018
C2_S1
204 -
(74)
1
- /
1
/
3
0
114
SH21B_HUMAN
14
72%
0.65
PF00018
C2_S1
222 -
(75)
1
- /
1
/
3
0
115
SH24A_HUMAN
4
39%
0.42
PF00018
202 -
(80)
?
- / - / -
0
116
SH24B_HUMAN
3
49%
0.52
PF00018
187 -
(2)
?
- / - / -
0
117
SH2B2_HUMAN
14
96%
0.73
PF00018
C3_S1
148 -
(44)
0
- /
4
/
2
0
118
SH2D6_HUMAN
1
44%
0.57
PF00102
24 -
(2)
?
- / - / -
0
119
SH2D7_HUMAN
5
43%
0.55
PF00018
203 -
(80)
1
- / - / -
0
120
SHB_HUMAN
5
42%
0.55
PF00018
51 -
(2)
?
- / - / -
0
121
SHC2_HUMAN
5
72%
0.67
PF00018
C3_S1
214 -
(79)
?
- / - /
1
0
122
SHC3_HUMAN
3
65%
0.74
PF00018
C2_S1
220 -
(83)
?
- / - /
1
0
123
SHD_HUMAN
3
56%
0.70
PF00018
162 -
(2)
?
- / - / -
0
124
SHE_HUMAN
5
37%
0.65
PF00018
109 -
(0)
?
- / - / -
0
125
SHIP2_HUMAN
17
100%
0.52
PF00018
C1_S1
184 -
(2)
?
- /
1
/
1
0
126
SLAP1_HUMAN
35
57%
0.66
PF00018
C2_S1
228 -
(81)
8
- /
6
/
17
4
127
SLAP2_HUMAN
83
57%
0.72
PF00018
C2_S1
246 -
(82)
20
- /
20
/
49
22
128
SOCS1_HUMAN
6
41%
0.64
PF00018
98 -
(36)
?
- / - / -
0
129
SOCS6_HUMAN
8
100%
0.66
PF00018
C4_S1
185 -
(73)
1
2
/ - /
1
0
130
SOCS7_HUMAN
8
59%
0.40
PF00018
C5_S1
111 -
(26)
?
- /
1
/ -
0
131
SRC_HUMAN
89
100%
0.72
PF00018
C1_S1
236 -
(71)
19
- /
29
/
46
25
132
SRMS_HUMAN
4
45%
0.69
PF00018
243 -
(83)
0
- / - / -
0
133
STA5A_HUMAN
13
97%
0.48
PF02865
17 -
(0)
?
- / - / -
0
134
STAP1_HUMAN
17
100%
0.80
PF07653
C2_S1
11 -
(0)
?
1
/ - / -
0
135
STAT1_HUMAN
16
100%
0.76
PF02865
C2_S1
15 -
(0)
?
- /
3
/ -
0
136
STAT4_HUMAN
14
66%
0.76
PF02865
C1_S1
11 -
(0)
?
- /
3
/ -
0
137
TEC_HUMAN
15
57%
0.64
PF00018
C2_S1
105 -
(0)
1
- / - /
1
0
138
TENS3_HUMAN
16
71%
0.52
PF07653
7 -
(0)
?
- / - / -
0
139
TENS4_HUMAN
11
58%
0.60
PF00018
10 -
(0)
?
- / - / -
0
140
TXK_HUMAN
17
100%
0.62
PF00018
C1_S1
136 -
(37)
2
- / - /
1
0
141
VAV2_HUMAN
12
100%
0.66
PF00018
C2_S1
114 -
(2)
?
- / - /
3
0
142
VAV3_HUMAN
12
57%
0.61
PF00018
C4_S1
222 -
(76)
?
- / - /
3
0
143
YES_HUMAN
91
83%
0.65
PF00018
C3_S1
232 -
(80)
19
- /
29
/
43
25
144
ZAP70_HUMAN
19
100%
0.79
PF00018
C2_S1
257 -
(79)
2
- /
1
/
9
0
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