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
B3GUD5_HUMAN
19
100%
0.75
PF00018
C1_S1
219 -
(81)
3
- /
2
/
6
2
51
PLCG1_HUMAN
5
100%
0.72
PF00018
215 -
(81)
?
- / - / -
0
52
B7Z629_HUMAN
13
99%
0.70
PF00018
C3_S1
215 -
(85)
1
- /
1
/
2
1
53
CRK_HUMAN
18
100%
0.74
PF00018
C6_S1
215 -
(85)
?
- / - /
2
0
54
B4DL02_HUMAN
3
98%
0.79
PF00018
C1_S1
215 -
(77)
?
- / - /
1
0
55
SHC2_HUMAN
5
72%
0.67
PF00018
C3_S1
214 -
(79)
?
- / - /
1
0
56
B4E3H3_HUMAN
11
91%
0.70
PF00018
C2_S1
212 -
(74)
?
- / - /
5
0
57
Q53EL0_HUMAN
19
100%
0.71
PF00018
C3_S1
210 -
(87)
1
- / - /
3
1
58
B3KWE9_HUMAN
5
73%
0.69
PF00018
C1_S1
210 -
(87)
?
- / - /
1
0
59
Q5TEW3_HUMAN
10
50%
0.52
PF00018
C5_S1
209 -
(85)
?
- /
1
/ -
0
60
CHIN_HUMAN
6
100%
0.64
PF00018
207 -
(1)
?
- / - / -
0
61
SH21A_HUMAN
20
100%
0.52
PF00018
C2_S1
204 -
(74)
1
- /
1
/
3
0
62
SH2D7_HUMAN
5
43%
0.55
PF00018
203 -
(80)
1
- / - / -
0
63
SH24A_HUMAN
4
39%
0.42
PF00018
202 -
(80)
?
- / - / -
0
64
A8K4G2_HUMAN
14
100%
0.59
PF00018
C3_S1
202 -
(60)
1
- /
1
/
8
1
65
A8K709_HUMAN
18
100%
0.70
PF00018
C2_S1
200 -
(66)
2
- / - /
1
0
66
E7EMU8_HUMAN
19
91%
0.84
PF00018
C7_S1
194 -
(73)
?
- /
2
/
1
0
67
Q68CY7_HUMAN
20
92%
0.91
PF00018
C4_S1
192 -
(69)
?
1
/
2
/ -
0
68
SH24B_HUMAN
3
49%
0.52
PF00018
187 -
(2)
?
- / - / -
0
69
Q6FHA6_HUMAN
77
96%
0.72
PF00018
C1_S1
186 -
(2)
18
3
/
67
/
4
9
70
SOCS6_HUMAN
8
100%
0.66
PF00018
C4_S1
185 -
(73)
1
2
/ - /
1
0
71
SHIP2_HUMAN
17
100%
0.52
PF00018
C1_S1
184 -
(2)
?
- /
1
/
1
0
72
A7E2A6_HUMAN
11
100%
0.62
PF00018
176 -
(76)
?
- / - / -
0
73
B4DVK9_HUMAN
12
100%
0.58
PF00018
C3_S1
168 -
(2)
?
- / - /
1
0
74
Q9NPN8_HUMAN
2
46%
0.69
PF00018
168 -
(2)
?
- / - / -
0
75
H0Y5X5_HUMAN
9
46%
0.61
PF00018
C4_S1
165 -
(63)
1
- / - /
1
0
76
SHD_HUMAN
3
56%
0.70
PF00018
162 -
(2)
?
- / - / -
0
77
ITK_HUMAN
20
92%
0.61
PF00018
C2_S1
162 -
(59)
1
- / - /
1
0
78
Q5VZS4_HUMAN
7
47%
0.64
PF00018
154 -
(2)
?
- / - / -
0
79
A8MY80_HUMAN
22
100%
?
PF00018
C2_S1
152 -
(2)
4
1
/
1
/
7
1
80
B7Z1V0_HUMAN
5
79%
0.69
PF00018
149 -
(0)
0
- / - / -
0
81
SH2B2_HUMAN
14
96%
0.73
PF00018
C3_S1
148 -
(44)
0
- /
4
/
2
0
82
H0YBC2_HUMAN
19
100%
0.80
PF00018
C6_S1
143 -
(2)
?
- /
1
/
2
0
83
O00428_HUMAN
22
93%
?
PF00018
C3_S1
140 -
(2)
4
- /
3
/
6
1
84
Q2MD52_HUMAN
12
91%
0.51
PF00018
138 -
(60)
?
- / - / -
0
85
TXK_HUMAN
17
100%
0.62
PF00018
C1_S1
136 -
(37)
2
- / - /
1
0
86
B7Z2N8_HUMAN
19
100%
0.83
PF00018
C5_S1
135 -
(2)
?
1
/
2
/ -
0
87
Q5UBZ1_HUMAN
6
47%
0.66
PF00018
132 -
(2)
?
- / - / -
0
88
B4E0E2_HUMAN
17
100%
0.57
PF00018
C6_S1
130 -
(0)
0
- / - /
4
0
89
B4DLN5_HUMAN
16
93%
0.60
PF00017
C3_S1
125 -
(42)
0
- /
4
/
2
0
90
P85A_HUMAN
20
100%
0.86
PF00018
C4_S1
124 -
(2)
?
1
/
2
/ -
0
91
F5GY53_HUMAN
17
93%
0.74
PF00018
C3_S1
116 -
(42)
0
- /
5
/
1
0
92
F5GYM4_HUMAN
17
76%
0.78
PF00018
C1_S1
114 -
(40)
?
- /
4
/
2
0
93
HSH2D_HUMAN
5
100%
0.56
PF00017
114 -
(2)
?
- / - / -
0
94
VAV2_HUMAN
12
100%
0.66
PF00018
C2_S1
114 -
(2)
?
- / - /
3
0
95
SOCS7_HUMAN
8
59%
0.40
PF00018
C5_S1
111 -
(26)
?
- /
1
/ -
0
96
B5MDS8_HUMAN
7
63%
0.47
PF00018
C3_S1
111 -
(27)
?
- /
1
/
1
0
97
A8K2M8_HUMAN
7
50%
0.61
PF00018
C2_S1
110 -
(0)
?
- /
1
/ -
0
98
SHE_HUMAN
5
37%
0.65
PF00018
109 -
(0)
?
- / - / -
0
99
E7EWB7_HUMAN
3
49%
0.60
PF00018
108 -
(0)
?
- / - / -
0
100
FES_HUMAN
15
100%
0.45
PF00018
105 -
(0)
1
- / - / -
0
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