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
SOCS1_HUMAN
6
41%
0.64
PF00018
98 -
(36)
?
- / - / -
0
101
A7E2A6_HUMAN
11
100%
0.62
PF00018
176 -
(76)
?
- / - / -
0
102
SH24B_HUMAN
3
49%
0.52
PF00018
187 -
(2)
?
- / - / -
0
103
A8K910_HUMAN
12
98%
0.72
PF00017
11 -
(0)
?
- / - / -
0
104
Q9NPN8_HUMAN
2
46%
0.69
PF00018
168 -
(2)
?
- / - / -
0
105
B7Z1V0_HUMAN
5
79%
0.69
PF00018
149 -
(0)
0
- / - / -
0
106
Q5UBZ2_HUMAN
13
47%
0.61
PF00018
10 -
(0)
?
- / - / -
0
107
SHIP2_HUMAN
17
100%
0.52
PF00018
C1_S1
184 -
(2)
?
- /
1
/
1
0
108
SOCS7_HUMAN
8
59%
0.40
PF00018
C5_S1
111 -
(26)
?
- /
1
/ -
0
109
Q5U0H7_HUMAN
9
100%
0.56
PF00018
C4_S1
101 -
(30)
?
- /
4
/ -
0
110
P85A_HUMAN
20
100%
0.86
PF00018
C4_S1
124 -
(2)
?
1
/
2
/ -
0
111
VAV3_HUMAN
12
57%
0.61
PF00018
C4_S1
222 -
(76)
?
- / - /
3
0
112
SHE_HUMAN
5
37%
0.65
PF00018
109 -
(0)
?
- / - / -
0
113
B4DMW5_HUMAN
10
43%
0.59
PF07525
19 -
(0)
?
- / - / -
0
114
A8K6I5_HUMAN
14
96%
0.55
PF02865
15 -
(0)
?
- / - / -
0
115
C3W981_HUMAN
15
100%
0.53
PF00018
C2_S1
225 -
(74)
0
- / - /
3
0
116
Q5H9R6_HUMAN
15
100%
0.44
PF07525
23 -
(0)
?
- / - / -
0
117
CHIN_HUMAN
6
100%
0.64
PF00018
207 -
(1)
?
- / - / -
0
118
B4DMA3_HUMAN
6
99%
0.72
PF00018
227 -
(81)
?
- / - / -
0
119
H0YD89_HUMAN
3
45%
0.64
PF00018
237 -
(90)
?
- / - / -
0
120
F1T0G6_HUMAN
6
100%
0.69
PF00018
246 -
(77)
?
- / - / -
0
121
RASA1_HUMAN
4
100%
0.66
PF00102
44 -
(2)
?
- / - / -
0
122
A8K4S9_HUMAN
11
99%
0.69
PF02865
14 -
(0)
?
- / - / -
0
123
B4E3H3_HUMAN
11
91%
0.70
PF00018
C2_S1
212 -
(74)
?
- / - /
5
0
124
SHB_HUMAN
5
42%
0.55
PF00018
51 -
(2)
?
- / - / -
0
125
JAK2_HUMAN
18
100%
0.70
PF00018
6 -
(0)
?
- / - / -
0
126
SHC2_HUMAN
5
72%
0.67
PF00018
C3_S1
214 -
(79)
?
- / - /
1
0
127
F5GYM4_HUMAN
17
76%
0.78
PF00018
C1_S1
114 -
(40)
?
- /
4
/
2
0
128
A1L0S7_HUMAN
13
73%
0.62
PF00018
8 -
(0)
?
- / - / -
0
129
B5BTZ6_HUMAN
12
100%
0.55
PF02865
C2_S1
9 -
(0)
?
- /
3
/ -
0
130
B3VCG3_HUMAN
10
28%
0.39
PF07653
12 -
(0)
?
- / - / -
0
131
G3V2M6_HUMAN
13
53%
0.73
PF02865
C3_S1
10 -
(0)
?
- /
1
/
2
0
132
Q53TG4_HUMAN
9
100%
0.62
PF00018
C2_S1
241 -
(92)
0
- /
7
/ -
0
133
C9JF09_HUMAN
12
100%
0.59
PF00018
C7_S1
221 -
(76)
?
- /
1
/
1
0
134
A8KA25_HUMAN
13
43%
0.59
PF00017
25 -
(0)
?
- / - / -
0
135
PTK6_HUMAN
6
100%
0.53
PF00018
254 -
(84)
0
- / - / -
0
136
E9PFM5_HUMAN
9
48%
0.55
PF07653
9 -
(0)
?
- / - / -
0
137
TENS3_HUMAN
16
71%
0.52
PF07653
7 -
(0)
?
- / - / -
0
138
E7EMU8_HUMAN
19
91%
0.84
PF00018
C7_S1
194 -
(73)
?
- /
2
/
1
0
139
SH24A_HUMAN
4
39%
0.42
PF00018
202 -
(80)
?
- / - / -
0
140
B4E0E2_HUMAN
17
100%
0.57
PF00018
C6_S1
130 -
(0)
0
- / - /
4
0
141
CRK_HUMAN
18
100%
0.74
PF00018
C6_S1
215 -
(85)
?
- / - /
2
0
142
SH2B2_HUMAN
14
96%
0.73
PF00018
C3_S1
148 -
(44)
0
- /
4
/
2
0
143
Q2MD52_HUMAN
12
91%
0.51
PF00018
138 -
(60)
?
- / - / -
0
144
TENS4_HUMAN
11
58%
0.60
PF00018
10 -
(0)
?
- / - / -
0
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