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
B7Z1V0_HUMAN
5
79%
0.69
PF00018
149 -
(0)
0
- / - / -
0
101
D6RJB9_HUMAN
9
43%
0.57
PF00102
32 -
(0)
?
- / - / -
0
102
F5GZ86_HUMAN
11
100%
0.69
PF02865
13 -
(0)
?
- / - / -
0
103
SOCS1_HUMAN
6
41%
0.64
PF00018
98 -
(36)
?
- / - / -
0
104
D6R919_HUMAN
13
100%
0.61
PF00018
13 -
(0)
?
- / - / -
0
105
PTK6_HUMAN
6
100%
0.53
PF00018
254 -
(84)
0
- / - / -
0
106
A7E2A6_HUMAN
11
100%
0.62
PF00018
176 -
(76)
?
- / - / -
0
107
SH24A_HUMAN
4
39%
0.42
PF00018
202 -
(80)
?
- / - / -
0
108
Q9UFN8_HUMAN
17
73%
0.59
PF07653
9 -
(0)
?
- / - / -
0
109
Q2MD52_HUMAN
12
91%
0.51
PF00018
138 -
(60)
?
- / - / -
0
110
RASA1_HUMAN
4
100%
0.66
PF00102
44 -
(2)
?
- / - / -
0
111
SHD_HUMAN
3
56%
0.70
PF00018
162 -
(2)
?
- / - / -
0
112
SRMS_HUMAN
4
45%
0.69
PF00018
243 -
(83)
0
- / - / -
0
113
E9PFM5_HUMAN
9
48%
0.55
PF07653
9 -
(0)
?
- / - / -
0
114
B4DMW5_HUMAN
10
43%
0.59
PF07525
19 -
(0)
?
- / - / -
0
115
A8K6I5_HUMAN
14
96%
0.55
PF02865
15 -
(0)
?
- / - / -
0
116
B3VCG3_HUMAN
10
28%
0.39
PF07653
12 -
(0)
?
- / - / -
0
117
Q9NPN8_HUMAN
2
46%
0.69
PF00018
168 -
(2)
?
- / - / -
0
118
Q59H39_HUMAN
13
94%
0.48
PF02865
16 -
(0)
?
- / - / -
0
119
E9PF55_HUMAN
14
73%
0.57
PF07653
8 -
(0)
?
- / - / -
0
120
B4DTX4_HUMAN
5
99%
0.62
PF00102
44 -
(2)
?
- / - / -
0
121
H0YD89_HUMAN
3
45%
0.64
PF00018
237 -
(90)
?
- / - / -
0
122
BLNK_HUMAN
7
33%
0.68
PF00018
12 -
(0)
?
- / - / -
0
123
PLCG1_HUMAN
5
100%
0.72
PF00018
215 -
(81)
?
- / - / -
0
124
A1L0S7_HUMAN
13
73%
0.62
PF00018
8 -
(0)
?
- / - / -
0
125
SH24B_HUMAN
3
49%
0.52
PF00018
187 -
(2)
?
- / - / -
0
126
TENS4_HUMAN
11
58%
0.60
PF00018
10 -
(0)
?
- / - / -
0
127
A8K910_HUMAN
12
98%
0.72
PF00017
11 -
(0)
?
- / - / -
0
128
FES_HUMAN
15
100%
0.45
PF00018
105 -
(0)
1
- / - / -
0
129
FER_HUMAN
9
100%
0.56
PF00018
222 -
(77)
1
- / - / -
0
130
TENS3_HUMAN
16
71%
0.52
PF07653
7 -
(0)
?
- / - / -
0
131
Q5H9R6_HUMAN
15
100%
0.44
PF07525
23 -
(0)
?
- / - / -
0
132
SHB_HUMAN
5
42%
0.55
PF00018
51 -
(2)
?
- / - / -
0
133
A8K4S9_HUMAN
11
99%
0.69
PF02865
14 -
(0)
?
- / - / -
0
134
Q9H8D5_HUMAN
18
71%
0.43
PF00018
6 -
(0)
?
- / - / -
0
135
SHE_HUMAN
5
37%
0.65
PF00018
109 -
(0)
?
- / - / -
0
136
Q5UBZ1_HUMAN
6
47%
0.66
PF00018
132 -
(2)
?
- / - / -
0
137
A8KA25_HUMAN
13
43%
0.59
PF00017
25 -
(0)
?
- / - / -
0
138
Q5VZS4_HUMAN
7
47%
0.64
PF00018
154 -
(2)
?
- / - / -
0
139
Q5UBZ2_HUMAN
13
47%
0.61
PF00018
10 -
(0)
?
- / - / -
0
140
F1T0G6_HUMAN
6
100%
0.69
PF00018
246 -
(77)
?
- / - / -
0
141
CHIN_HUMAN
6
100%
0.64
PF00018
207 -
(1)
?
- / - / -
0
142
Q8WWS9_HUMAN
16
97%
0.48
PF02865
19 -
(0)
?
- / - / -
0
143
B4DMA3_HUMAN
6
99%
0.72
PF00018
227 -
(81)
?
- / - / -
0
144
JAK2_HUMAN
18
100%
0.70
PF00018
6 -
(0)
?
- / - / -
0
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