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
SHC2_HUMAN
5
72%
0.67
PF00018
C3_S1
214 -
(79)
?
- / - /
1
0
101
SH21B_HUMAN
14
72%
0.65
PF00018
C2_S1
222 -
(75)
1
- /
1
/
3
0
102
Q9H8D5_HUMAN
18
71%
0.43
PF00018
6 -
(0)
?
- / - / -
0
103
TENS3_HUMAN
16
71%
0.52
PF07653
7 -
(0)
?
- / - / -
0
104
GRAP_HUMAN
79
67%
0.64
PF00018
C1_S1
242 -
(92)
17
4
/
68
/
5
10
105
STAT4_HUMAN
14
66%
0.76
PF02865
C1_S1
11 -
(0)
?
- /
3
/ -
0
106
SHC3_HUMAN
3
65%
0.74
PF00018
C2_S1
220 -
(83)
?
- / - /
1
0
107
B5MDS8_HUMAN
7
63%
0.47
PF00018
C3_S1
111 -
(27)
?
- /
1
/
1
0
108
SOCS7_HUMAN
8
59%
0.40
PF00018
C5_S1
111 -
(26)
?
- /
1
/ -
0
109
TENS4_HUMAN
11
58%
0.60
PF00018
10 -
(0)
?
- / - / -
0
110
SLAP1_HUMAN
35
57%
0.66
PF00018
C2_S1
228 -
(81)
8
- /
6
/
17
4
111
SLAP2_HUMAN
83
57%
0.72
PF00018
C2_S1
246 -
(82)
20
- /
20
/
49
22
112
TEC_HUMAN
15
57%
0.64
PF00018
C2_S1
105 -
(0)
1
- / - /
1
0
113
VAV3_HUMAN
12
57%
0.61
PF00018
C4_S1
222 -
(76)
?
- / - /
3
0
114
SHD_HUMAN
3
56%
0.70
PF00018
162 -
(2)
?
- / - / -
0
115
E5RJ69_HUMAN
27
56%
0.60
PF00018
C1_S1
223 -
(80)
3
- /
3
/
15
2
116
Q5TZW1_HUMAN
36
56%
0.65
PF00018
C2_S1
226 -
(81)
8
- /
6
/
17
4
117
DAPP1_HUMAN
15
56%
0.57
PF00018
C2_S1
248 -
(95)
3
- / - /
8
1
118
G3V2M6_HUMAN
13
53%
0.73
PF02865
C3_S1
10 -
(0)
?
- /
1
/
2
0
119
Q6N0A7_HUMAN
14
52%
0.89
PF02865
C4_S1
9 -
(0)
?
- /
1
/
2
0
120
Q5TEW3_HUMAN
10
50%
0.52
PF00018
C5_S1
209 -
(85)
?
- /
1
/ -
0
121
A8K2M8_HUMAN
7
50%
0.61
PF00018
C2_S1
110 -
(0)
?
- /
1
/ -
0
122
E7EWB7_HUMAN
3
49%
0.60
PF00018
108 -
(0)
?
- / - / -
0
123
SH24B_HUMAN
3
49%
0.52
PF00018
187 -
(2)
?
- / - / -
0
124
E9PFM5_HUMAN
9
48%
0.55
PF07653
9 -
(0)
?
- / - / -
0
125
F8VRV3_HUMAN
12
47%
0.69
PF07525
C4_S1
26 -
(0)
1
- / - /
1
0
126
Q5VZS4_HUMAN
7
47%
0.64
PF00018
154 -
(2)
?
- / - / -
0
127
Q5UBZ2_HUMAN
13
47%
0.61
PF00018
10 -
(0)
?
- / - / -
0
128
Q5UBZ1_HUMAN
6
47%
0.66
PF00018
132 -
(2)
?
- / - / -
0
129
H0Y5X5_HUMAN
9
46%
0.61
PF00018
C4_S1
165 -
(63)
1
- / - /
1
0
130
Q9NPN8_HUMAN
2
46%
0.69
PF00018
168 -
(2)
?
- / - / -
0
131
G5E9R1_HUMAN
6
46%
0.64
PF00018
C4_S1
98 -
(0)
1
- / - /
1
0
132
SRMS_HUMAN
4
45%
0.69
PF00018
243 -
(83)
0
- / - / -
0
133
H0YD89_HUMAN
3
45%
0.64
PF00018
237 -
(90)
?
- / - / -
0
134
SH2D6_HUMAN
1
44%
0.57
PF00102
24 -
(2)
?
- / - / -
0
135
A8KA25_HUMAN
13
43%
0.59
PF00017
25 -
(0)
?
- / - / -
0
136
SH2D7_HUMAN
5
43%
0.55
PF00018
203 -
(80)
1
- / - / -
0
137
D6RJB9_HUMAN
9
43%
0.57
PF00102
32 -
(0)
?
- / - / -
0
138
B4DMW5_HUMAN
10
43%
0.59
PF07525
19 -
(0)
?
- / - / -
0
139
SHB_HUMAN
5
42%
0.55
PF00018
51 -
(2)
?
- / - / -
0
140
SOCS1_HUMAN
6
41%
0.64
PF00018
98 -
(36)
?
- / - / -
0
141
SH24A_HUMAN
4
39%
0.42
PF00018
202 -
(80)
?
- / - / -
0
142
SHE_HUMAN
5
37%
0.65
PF00018
109 -
(0)
?
- / - / -
0
143
BLNK_HUMAN
7
33%
0.68
PF00018
12 -
(0)
?
- / - / -
0
144
B3VCG3_HUMAN
10
28%
0.39
PF07653
12 -
(0)
?
- / - / -
0
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