Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
PK_HUMAN_I30_2020M9 (2020 - Homo sapiens - Protein Kinase family)

Download : Data.csv | 3D Common Core | 3D Models | DB.fasta


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]
1SGK3_HUMAN428 73% 0.32 PF00069 C1_S1753 - (117)20 10 / 149 / 212 161
2SGK2_HUMAN439 73% 0.38 PF00069 C2_S1736 - (118)19 6 / 198 / 212 183
3KS6B2_HUMAN416 82% 0.38 PF00069 C3_S1702 - (108)20 7 / 208 / 178 170
4KS6A2_HUMAN416 90% 0.23 PF00069 C3_S1678 - (101)20 6 / 205 / 190 134
5KS6B1_HUMAN386 100% 0.35 PF00069 C3_S1659 - (101)20 9 / 169 / 179 146
6KS6A5_HUMAN418 100% 0.22 PF00069 C4_S1641 - (99)20 11 / 157 / 161 131
7KPCD_HUMAN381 73% 0.29 PF00069 C2_S1632 - (107)20 11 / 144 / 153 116
8KS6A1_HUMAN386 100% 0.22 PF00069 C3_S1626 - (98)20 13 / 196 / 163 132
9AKT2_HUMAN443 99% 0.45 PF00069 C2_S1620 - (108)20 53 / 245 / 137 198
10CSK_HUMAN513 100% 0.59 PF00018 C2_S1608 - (32)20 133 / 220 / 145 200
11AKT1_HUMAN444 100% 0.45 PF00069 C2_S1605 - (107)20 45 / 241 / 138 202
12KIT_HUMAN490 99% 0.16 PF00018 C4_S1605 - (61)20 97 / 170 / 201 60
13MATK_HUMAN515 59% 0.47 PF00018 C2_S1599 - (62)20 109 / 188 / 207 156
14HCK_HUMAN499 100% 0.68 PF00018 C3_S1597 - (35)20 185 / 214 / 94 217
15BLK_HUMAN508 75% 0.43 PF00018 C3_S1597 - (31)20 179 / 214 / 109 209
16ABL1_HUMAN507 100% 0.32 PF00018 C4_S1596 - (30)20 163 / 224 / 116 131
17KS6A6_HUMAN412 100% 0.21 PF00069 C3_S1595 - (101)20 14 / 211 / 169 132
18DDR1_HUMAN491 100% 0.20 PF00018 C1_S1594 - (75)20 151 / 207 / 128 107
19MUSK_HUMAN479 97% 0.18 PF00018 C6_S1593 - (74)20 74 / 186 / 205 117
20KPCI_HUMAN353 100% 0.35 PF00069 C2_S1590 - (91)20 - / 114 / 213 117
21BMX_HUMAN513 98% 0.26 PF00018 C1_S1586 - (32)20 167 / 234 / 103 198
22FGFR3_HUMAN466 98% 0.22 PF00018 C4_S1584 - (69)20 154 / 196 / 105 157
23CDK1_HUMAN524 100% 0.51 PF00069 C1_S1584 - (47)20 11 / 283 / 217 333
24TEC_HUMAN515 67% 0.28 PF00018 C2_S1583 - (31)20 183 / 231 / 95 211
25ABL2_HUMAN504 100% 0.33 PF00018 C5_S1582 - (32)20 157 / 225 / 120 130
26SGK1_HUMAN433 99% 0.37 PF00069 C2_S1579 - (119)20 12 / 203 / 187 168
27FLT3_HUMAN490 100% 0.16 PF00018 C3_S1577 - (54)20 45 / 139 / 275 93
28MERTK_HUMAN443 100% 0.17 PF00018 C3_S1577 - (63)20 117 / 198 / 117 117
29CDK2_HUMAN517 100% 0.81 PF00069 C1_S1576 - (47)20 11 / 281 / 215 331
30SRMS_HUMAN477 56% 0.42 PF00018 C3_S1576 - (31)20 161 / 213 / 96 183
31CDKL5_HUMAN513 99% 0.14 PF00069 C1_S1576 - (48)20 3 / 222 / 276 141
32MK11_HUMAN449 100% 0.48 PF00069 C1_S1574 - (42)20 108 / 213 / 112 302
33LYN_HUMAN485 100% 0.48 PF00018 C3_S1574 - (30)20 180 / 198 / 102 188
34ITK_HUMAN492 100% 0.29 PF00018 C1_S1573 - (37)20 84 / 219 / 176 205
35CDK3_HUMAN518 78% 0.57 PF00069 C1_S1573 - (46)20 9 / 281 / 217 330
36TXK_HUMAN513 66% 0.27 PF00018 C1_S1572 - (31)20 160 / 225 / 124 219
37LCK_HUMAN484 100% 0.56 PF00018 C2_S1570 - (32)20 170 / 203 / 105 214
38CDK5_HUMAN521 100% 0.52 PF00069 C1_S1569 - (44)20 9 / 280 / 215 324
39CDK9_HUMAN515 100% 0.45 PF00069 C1_S1569 - (42)20 8 / 259 / 226 297
40CDK17_HUMAN513 81% 0.33 PF00069 C1_S1569 - (47)20 8 / 245 / 249 312
41CDK20_HUMAN509 46% 0.47 PF00069 C1_S1569 - (46)20 5 / 249 / 242 315
42CDKL1_HUMAN509 99% 0.42 PF00069 C1_S1569 - (43)20 7 / 235 / 259 310
43PTK6_HUMAN499 99% 0.32 PF00018 C4_S1568 - (65)20 138 / 217 / 134 171
44TIE1_HUMAN436 82% 0.13 PF00018 C2_S1568 - (59)19 54 / 180 / 184 117
45CDK16_HUMAN510 99% 0.30 PF00069 C1_S1567 - (47)20 8 / 245 / 250 318
46CDK18_HUMAN509 78% 0.32 PF00069 C1_S1567 - (47)20 8 / 243 / 252 315
47CDK7_HUMAN514 100% 0.44 PF00069 C1_S1566 - (45)20 5 / 238 / 260 320
48FGFR1_HUMAN448 100% 0.22 PF00018 C6_S1565 - (70)20 151 / 186 / 98 153
49CDK8_HUMAN503 100% 0.43 PF00069 C2_S1565 - (39)20 8 / 226 / 259 278
50KPCG_HUMAN435 77% 0.36 PF00069 C2_S1564 - (115)20 16 / 241 / 160 135

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