Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
PK_HUMAN_I30_2020BIS (2020 - Homo sapiens - Protein Kinase family)

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 ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted Complexes - pKd:[ ‹nMol | ‹μMol | ‹mMol ]




Query Sequence
Filter:
Significants
SA found
Seq Ident. 3D Core
(QMean Score)
Classification code

Binding Site Ligands Found
(Procognate)
Profile Complexes by comparative docking
(ligands from PDB templates)

Targets
for screening


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1HASP_HUMAN21 100% 0.23 -C3_S121 - (14)13 - / 10 / 9 17
2JAK3_HUMAN363 100% 0.24 PF00017 C1_S1398 - (44)17 30 / 217 / 81 106
3ERBB4_HUMAN396 100% 0.13 PF00018 C5_S1435 - (61)183 113 / 194 / 84 131
4JAK2_HUMAN437 99% 0.22 PF00018 C1_S1490 - (20)20 95 / 266 / 73 145
5KSYK_HUMAN433 100% 0.45 PF00018 C4_S1508 - (66)20 80 / 240 / 104 176
6TYRO3_HUMAN378 98% 0.14 PF00018 C5_S1474 - (39)20 113 / 169 / 83 107
7ERBB3_HUMAN325 100% 0.10 PF00018 C5_S1342 - (50)190 73 / 177 / 66 152
8UFO_HUMAN422 100% 0.17 PF00018 C5_S1548 - (59)20 115 / 165 / 128 129
9TIE1_HUMAN436 82% 0.13 PF00018 C2_S1568 - (59)19 54 / 180 / 184 117
10MERTK_HUMAN443 100% 0.17 PF00018 C3_S1577 - (63)20 117 / 198 / 117 117
11ROS1_HUMAN473 100% 0.07 PF00018 C4_S1529 - (74)20 42 / 238 / 190 55
12DDR1_HUMAN491 100% 0.20 PF00018 C1_S1594 - (75)20 151 / 207 / 128 107
13DDR2_HUMAN494 100% 0.17 PF00018 C1_S1548 - (80)20 140 / 204 / 133 108
14MET_HUMAN507 100% 0.13 PF00018 C4_S1551 - (41)289 121 / 96 / 71 116
15FLT3_HUMAN490 100% 0.16 PF00018 C3_S1577 - (54)20 45 / 139 / 275 93
16KIT_HUMAN490 99% 0.16 PF00018 C4_S1605 - (61)20 97 / 170 / 201 60
17LMTK3_HUMAN139 36% 0.09 PF00018 C2_S1204 - (14)20 1 / 42 / 59 15
18RIPK1_HUMAN314 100% 0.23 PF00018 C4_S1362 - (25)20 31 / 113 / 159 22
19FAK2_HUMAN414 100% 0.31 PF00018 C3_S1480 - (57)20 123 / 189 / 97 111
20FES_HUMAN418 100% 0.26 PF00018 C3_S1500 - (31)20 86 / 194 / 126 96
21FAK1_HUMAN389 100% 0.31 PF00018 C2_S1430 - (38)20 97 / 171 / 108 109
22IRAK4_HUMAN412 100% 0.33 PF00018 C1_S1436 - (42)20 37 / 217 / 149 92
23ACK1_HUMAN365 100% 0.16 PF00018 C5_S1424 - (62)20 98 / 147 / 111 58
24LMTK2_HUMAN92 34% 0.08 PF00018 C1_S1115 - (8)20 - / 38 / 34 37
25EPHA8_HUMAN452 100% 0.16 PF00018 C5_S1496 - (35)20 82 / 215 / 147 114
26LIMK1_HUMAN50 100% 0.23 PF00018 C2_S185 - (8)20 5 / 5 / 18 9
27STYK1_HUMAN36 37% 0.27 PF00018 C1_S182 - (6)16 - / - / 6 0
28EPHA6_HUMAN462 74% 0.17 PF00018 C3_S1491 - (36)20 103 / 194 / 155 121
29EPHA7_HUMAN463 100% 0.18 PF00018 C3_S1492 - (38)20 72 / 154 / 225 160
30SRC_HUMAN320 100% 0.72 PF00018 C2_S1353 - (19)20 124 / 119 / 57 132
31LMTK1_HUMAN144 36% 0.08 PF00018 C2_S1199 - (15)20 1 / 54 / 67 16
32EPHB1_HUMAN470 100% 0.17 PF00018 C2_S1517 - (42)20 146 / 193 / 123 156
33EPHB3_HUMAN455 99% 0.17 PF00018 C3_S1496 - (43)20 134 / 183 / 130 154
34EPHA4_HUMAN464 99% 0.21 PF00018 C2_S1511 - (45)20 130 / 183 / 139 166
35EPHB2_HUMAN469 100% 0.15 PF00018 C1_S1509 - (42)20 138 / 185 / 134 149
36EPHA2_HUMAN479 100% 0.18 PF00018 C5_S1528 - (45)20 145 / 191 / 136 164
37EPHA3_HUMAN462 99% 0.18 PF00018 C1_S1486 - (45)20 132 / 181 / 133 147
38EPHA5_HUMAN468 88% 0.17 PF00018 C2_S1496 - (45)20 135 / 189 / 129 154
39FER_HUMAN486 67% 0.27 PF00018 C2_S1564 - (40)20 129 / 208 / 138 140
40EPHA1_HUMAN485 62% 0.18 PF00018 C4_S1532 - (44)20 134 / 191 / 149 158
41EPHB4_HUMAN489 100% 0.18 PF00018 C2_S1519 - (45)20 139 / 199 / 138 155
42FYN_HUMAN452 85% 0.67 PF00018 C4_S1522 - (22)20 149 / 191 / 91 182
43YES_HUMAN454 90% 0.70 PF00018 C2_S1531 - (26)20 147 / 199 / 83 178
44FGR_HUMAN452 80% 0.53 PF00018 C1_S1528 - (22)20 147 / 205 / 80 184
45MATK_HUMAN515 59% 0.47 PF00018 C2_S1599 - (62)20 109 / 188 / 207 156
46ITK_HUMAN492 100% 0.29 PF00018 C1_S1573 - (37)20 84 / 219 / 176 205
47PTK6_HUMAN499 99% 0.32 PF00018 C4_S1568 - (65)20 138 / 217 / 134 171
48FRK_HUMAN411 61% 0.46 PF00018 C3_S1455 - (26)20 141 / 182 / 80 166
49SRMS_HUMAN477 56% 0.42 PF00018 C3_S1576 - (31)20 161 / 213 / 96 183
50HCK_HUMAN499 100% 0.68 PF00018 C3_S1597 - (35)20 185 / 214 / 94 217

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