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
G5E9R1_HUMAN
6
46%
0.64
PF00018
C4_S1
98 -
(0)
1
- / - /
1
0
51
CHIN_HUMAN
6
100%
0.64
PF00018
207 -
(1)
?
- / - / -
0
52
B5BTZ6_HUMAN
12
100%
0.55
PF02865
C2_S1
9 -
(0)
?
- /
3
/ -
0
53
E7EMU8_HUMAN
19
91%
0.84
PF00018
C7_S1
194 -
(73)
?
- /
2
/
1
0
54
Q8WWS9_HUMAN
16
97%
0.48
PF02865
19 -
(0)
?
- / - / -
0
55
F8VRV3_HUMAN
12
47%
0.69
PF07525
C4_S1
26 -
(0)
1
- / - /
1
0
56
STAT4_HUMAN
14
66%
0.76
PF02865
C1_S1
11 -
(0)
?
- /
3
/ -
0
57
PTK6_HUMAN
6
100%
0.53
PF00018
254 -
(84)
0
- / - / -
0
58
SHC2_HUMAN
5
72%
0.67
PF00018
C3_S1
214 -
(79)
?
- / - /
1
0
59
B7Z1V0_HUMAN
5
79%
0.69
PF00018
149 -
(0)
0
- / - / -
0
60
B4DTX4_HUMAN
5
99%
0.62
PF00102
44 -
(2)
?
- / - / -
0
61
Q5H9R6_HUMAN
15
100%
0.44
PF07525
23 -
(0)
?
- / - / -
0
62
B2RAW1_HUMAN
19
100%
0.61
PF00018
27 -
(2)
1
- / - / -
0
63
Q16176_HUMAN
8
96%
0.69
PF00018
235 -
(77)
?
- / - / -
0
64
B4DL02_HUMAN
3
98%
0.79
PF00018
C1_S1
215 -
(77)
?
- / - /
1
0
65
STAT1_HUMAN
16
100%
0.76
PF02865
C2_S1
15 -
(0)
?
- /
3
/ -
0
66
A8K6I5_HUMAN
14
96%
0.55
PF02865
15 -
(0)
?
- / - / -
0
67
SH24A_HUMAN
4
39%
0.42
PF00018
202 -
(80)
?
- / - / -
0
68
SH2B2_HUMAN
14
96%
0.73
PF00018
C3_S1
148 -
(44)
0
- /
4
/
2
0
69
ITK_HUMAN
20
92%
0.61
PF00018
C2_S1
162 -
(59)
1
- / - /
1
0
70
SH24B_HUMAN
3
49%
0.52
PF00018
187 -
(2)
?
- / - / -
0
71
B4DMW5_HUMAN
10
43%
0.59
PF07525
19 -
(0)
?
- / - / -
0
72
B3GUD3_HUMAN
29
100%
0.84
PF00018
C1_S1
241 -
(86)
3
- /
1
/
7
0
73
SH21A_HUMAN
20
100%
0.52
PF00018
C2_S1
204 -
(74)
1
- /
1
/
3
0
74
STAP1_HUMAN
17
100%
0.80
PF07653
C2_S1
11 -
(0)
?
1
/ - / -
0
75
Q9UFN8_HUMAN
17
73%
0.59
PF07653
9 -
(0)
?
- / - / -
0
76
Q53SD4_HUMAN
15
92%
0.43
PF07653
C6_S1
10 -
(0)
?
1
/ - / -
0
77
Q53EL3_HUMAN
12
99%
0.64
PF00018
C2_S1
280 -
(90)
1
- / - /
1
0
78
Q9H8D5_HUMAN
18
71%
0.43
PF00018
6 -
(0)
?
- / - / -
0
79
B4DVK9_HUMAN
12
100%
0.58
PF00018
C3_S1
168 -
(2)
?
- / - /
1
0
80
SHB_HUMAN
5
42%
0.55
PF00018
51 -
(2)
?
- / - / -
0
81
A8K2M8_HUMAN
7
50%
0.61
PF00018
C2_S1
110 -
(0)
?
- /
1
/ -
0
82
SOCS1_HUMAN
6
41%
0.64
PF00018
98 -
(36)
?
- / - / -
0
83
Q5UBZ1_HUMAN
6
47%
0.66
PF00018
132 -
(2)
?
- / - / -
0
84
SHC3_HUMAN
3
65%
0.74
PF00018
C2_S1
220 -
(83)
?
- / - /
1
0
85
SOCS6_HUMAN
8
100%
0.66
PF00018
C4_S1
185 -
(73)
1
2
/ - /
1
0
86
SHIP2_HUMAN
17
100%
0.52
PF00018
C1_S1
184 -
(2)
?
- /
1
/
1
0
87
Q9NPN8_HUMAN
2
46%
0.69
PF00018
168 -
(2)
?
- / - / -
0
88
P85A_HUMAN
20
100%
0.86
PF00018
C4_S1
124 -
(2)
?
1
/
2
/ -
0
89
B3KWE9_HUMAN
5
73%
0.69
PF00018
C1_S1
210 -
(87)
?
- / - /
1
0
90
Q5UBZ2_HUMAN
13
47%
0.61
PF00018
10 -
(0)
?
- / - / -
0
91
TXK_HUMAN
17
100%
0.62
PF00018
C1_S1
136 -
(37)
2
- / - /
1
0
92
G3V2M6_HUMAN
13
53%
0.73
PF02865
C3_S1
10 -
(0)
?
- /
1
/
2
0
93
Q68CY7_HUMAN
20
92%
0.91
PF00018
C4_S1
192 -
(69)
?
1
/
2
/ -
0
94
STA5A_HUMAN
13
97%
0.48
PF02865
17 -
(0)
?
- / - / -
0
95
H0Y5X5_HUMAN
9
46%
0.61
PF00018
C4_S1
165 -
(63)
1
- / - /
1
0
96
B3VCG3_HUMAN
10
28%
0.39
PF07653
12 -
(0)
?
- / - / -
0
97
Q59H39_HUMAN
13
94%
0.48
PF02865
16 -
(0)
?
- / - / -
0
98
B4DLN5_HUMAN
16
93%
0.60
PF00017
C3_S1
125 -
(42)
0
- /
4
/
2
0
99
Q6N0A7_HUMAN
14
52%
0.89
PF02865
C4_S1
9 -
(0)
?
- /
1
/
2
0
100
A8K910_HUMAN
12
98%
0.72
PF00017
11 -
(0)
?
- / - / -
0
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