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
F1T0G6_HUMAN
6
100%
0.69
PF00018
246 -
(77)
?
- / - / -
0
51
Q16176_HUMAN
8
96%
0.69
PF00018
235 -
(77)
?
- / - / -
0
52
SRMS_HUMAN
4
45%
0.69
PF00018
243 -
(83)
0
- / - / -
0
53
A2RQD7_HUMAN
27
99%
0.69
PF00018
C1_S1
256 -
(94)
3
- /
3
/
9
2
54
F8VRV3_HUMAN
12
47%
0.69
PF07525
C4_S1
26 -
(0)
1
- / - /
1
0
55
BLNK_HUMAN
7
33%
0.68
PF00018
12 -
(0)
?
- / - / -
0
56
SHC2_HUMAN
5
72%
0.67
PF00018
C3_S1
214 -
(79)
?
- / - /
1
0
57
ABL2_HUMAN
23
100%
0.66
PF00018
C2_S1
271 -
(92)
3
- /
2
/
6
1
58
SOCS6_HUMAN
8
100%
0.66
PF00018
C4_S1
185 -
(73)
1
2
/ - /
1
0
59
RASA1_HUMAN
4
100%
0.66
PF00102
44 -
(2)
?
- / - / -
0
60
VAV2_HUMAN
12
100%
0.66
PF00018
C2_S1
114 -
(2)
?
- / - /
3
0
61
SLAP1_HUMAN
35
57%
0.66
PF00018
C2_S1
228 -
(81)
8
- /
6
/
17
4
62
Q5UBZ1_HUMAN
6
47%
0.66
PF00018
132 -
(2)
?
- / - / -
0
63
B2R7X4_HUMAN
22
100%
0.66
PF00018
C3_S1
221 -
(74)
4
- /
2
/
5
1
64
SH21B_HUMAN
14
72%
0.65
PF00018
C2_S1
222 -
(75)
1
- /
1
/
3
0
65
SHE_HUMAN
5
37%
0.65
PF00018
109 -
(0)
?
- / - / -
0
66
Q5TZW1_HUMAN
36
56%
0.65
PF00018
C2_S1
226 -
(81)
8
- /
6
/
17
4
67
Q59FK4_HUMAN
25
100%
0.65
PF00018
C1_S1
264 -
(89)
4
- /
3
/
9
1
68
YES_HUMAN
91
83%
0.65
PF00018
C3_S1
232 -
(80)
19
- /
29
/
43
25
69
GRAP_HUMAN
79
67%
0.64
PF00018
C1_S1
242 -
(92)
17
4
/
68
/
5
10
70
TEC_HUMAN
15
57%
0.64
PF00018
C2_S1
105 -
(0)
1
- / - /
1
0
71
H0YD89_HUMAN
3
45%
0.64
PF00018
237 -
(90)
?
- / - / -
0
72
SOCS1_HUMAN
6
41%
0.64
PF00018
98 -
(36)
?
- / - / -
0
73
Q53EL3_HUMAN
12
99%
0.64
PF00018
C2_S1
280 -
(90)
1
- / - /
1
0
74
G5E9R1_HUMAN
6
46%
0.64
PF00018
C4_S1
98 -
(0)
1
- / - /
1
0
75
CHIN_HUMAN
6
100%
0.64
PF00018
207 -
(1)
?
- / - / -
0
76
B5BU52_HUMAN
12
97%
0.64
PF00018
C3_S1
277 -
(90)
1
- / - /
1
0
77
Q5VZS4_HUMAN
7
47%
0.64
PF00018
154 -
(2)
?
- / - / -
0
78
B7Z7F9_HUMAN
23
100%
0.63
PF00018
C2_S1
251 -
(84)
4
- /
2
/
5
1
79
A7E2A6_HUMAN
11
100%
0.62
PF00018
176 -
(76)
?
- / - / -
0
80
Q53TG4_HUMAN
9
100%
0.62
PF00018
C2_S1
241 -
(92)
0
- /
7
/ -
0
81
B4DTX4_HUMAN
5
99%
0.62
PF00102
44 -
(2)
?
- / - / -
0
82
H3BU69_HUMAN
6
98%
0.62
PF00018
226 -
(92)
?
- / - / -
0
83
TXK_HUMAN
17
100%
0.62
PF00018
C1_S1
136 -
(37)
2
- / - /
1
0
84
A1L0S7_HUMAN
13
73%
0.62
PF00018
8 -
(0)
?
- / - / -
0
85
B2RAW1_HUMAN
19
100%
0.61
PF00018
27 -
(2)
1
- / - / -
0
86
VAV3_HUMAN
12
57%
0.61
PF00018
C4_S1
222 -
(76)
?
- / - /
3
0
87
H0Y5X5_HUMAN
9
46%
0.61
PF00018
C4_S1
165 -
(63)
1
- / - /
1
0
88
ITK_HUMAN
20
92%
0.61
PF00018
C2_S1
162 -
(59)
1
- / - /
1
0
89
A8K2M8_HUMAN
7
50%
0.61
PF00018
C2_S1
110 -
(0)
?
- /
1
/ -
0
90
Q5UBZ2_HUMAN
13
47%
0.61
PF00018
10 -
(0)
?
- / - / -
0
91
D6R919_HUMAN
13
100%
0.61
PF00018
13 -
(0)
?
- / - / -
0
92
E9PIJ7_HUMAN
6
97%
0.61
PF00018
C3_S1
102 -
(0)
1
- / - /
1
0
93
C9JAB9_HUMAN
9
100%
0.61
PF00018
C2_S1
239 -
(93)
?
- /
7
/ -
0
94
E5RJ69_HUMAN
27
56%
0.60
PF00018
C1_S1
223 -
(80)
3
- /
3
/
15
2
95
B4DLN5_HUMAN
16
93%
0.60
PF00017
C3_S1
125 -
(42)
0
- /
4
/
2
0
96
E7EWB7_HUMAN
3
49%
0.60
PF00018
108 -
(0)
?
- / - / -
0
97
TENS4_HUMAN
11
58%
0.60
PF00018
10 -
(0)
?
- / - / -
0
98
B2RA70_HUMAN
89
82%
0.60
PF00018
C3_S1
232 -
(80)
19
- /
29
/
44
26
99
FRK_HUMAN
84
85%
0.59
PF00018
C1_S1
243 -
(87)
19
- /
29
/
47
24
100
C9JF09_HUMAN
12
100%
0.59
PF00018
C7_S1
221 -
(76)
?
- /
1
/
1
0
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