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]
50CSKP_HUMAN50 100% 0.20 PF00069 C4_S147 - (18)20 - / 14 / 24 10
51TTK_HUMAN69 100% 0.18 PF00069 C1_S1132 - (1)20 16 / 30 / 15 33
52PKN3_HUMAN386 67% 0.19 PF00069 C4_S1530 - (105)20 5 / 132 / 199 95
53MP2K6_HUMAN88 100% 0.38 PF00069 C1_S1130 - (56)20 4 / 37 / 42 24
54MK04_HUMAN231 74% 0.25 PF00069 C3_S1328 - (44)20 5 / 58 / 137 85
55AAPK1_HUMAN443 99% 0.36 PF00069 C5_S1519 - (91)20 34 / 233 / 162 140
56KS6A1_HUMAN386 100% 0.22 PF00069 C3_S1626 - (98)20 13 / 196 / 163 132
57CLK3_HUMAN107 100% 0.26 PF00069 C1_S1142 - (8)20 1 / 70 / 30 30
58AKT1_HUMAN444 100% 0.45 PF00069 C2_S1605 - (107)20 45 / 241 / 138 202
59DAPK3_HUMAN184 100% 0.34 PF00069 C3_S1220 - (36)20 4 / 74 / 86 63
60CTRO_HUMAN350 45% 0.10 PF00069 C4_S1435 - (89)20 9 / 119 / 146 52
61CDKL1_HUMAN509 99% 0.42 PF00069 C1_S1569 - (43)20 7 / 235 / 259 310
62PDK3_HUMAN50 100% 0.57 PF02518 C10_S148 - (24)20 2 / 16 / 23 18
63ARAF_HUMAN188 77% 0.27 PF02196 C3_S1222 - (10)20 85 / 67 / 20 69
64CDK4_HUMAN508 100% 0.45 PF00069 C1_S1548 - (40)20 8 / 250 / 232 319
65LYN_HUMAN485 100% 0.48 PF00018 C3_S1574 - (30)20 180 / 198 / 102 188
66STK25_HUMAN311 99% 0.36 PF00069 C2_S1447 - (106)20 11 / 134 / 158 105
67CDK6_HUMAN512 100% 0.72 PF00069 C1_S1545 - (41)20 8 / 256 / 233 324
68ZAP70_HUMAN360 100% 0.55 PF00018 C2_S1420 - (63)20 77 / 182 / 94 136
69MRCKB_HUMAN343 100% 0.13 PF00069 C5_S1455 - (96)20 7 / 136 / 155 71
70MK10_HUMAN446 100% 0.41 PF00069 C2_S1545 - (29)20 93 / 227 / 113 276
71MP2K2_HUMAN114 100% 0.47 PF00069 C1_S1178 - (66)20 8 / 65 / 39 17
72JAK2_HUMAN437 99% 0.22 PF00018 C1_S1490 - (20)20 95 / 266 / 73 145
73STK38_HUMAN390 100% 0.35 PF00069 C1_S1455 - (97)20 18 / 199 / 155 160
74TGFR2_HUMAN97 98% 0.26 PF08515 C1_S1140 - (7)20 5 / 68 / 20 38
75PMYT1_HUMAN56 100% 0.33 PF00069 C2_S178 - (7)20 11 / 26 / 10 21
76BMR1A_HUMAN167 86% 0.31 PF08515 C1_S1219 - (6)20 4 / 110 / 38 49
77WNK1_HUMAN143 100% 0.08 PF02196 C2_S1179 - (14)20 23 / 90 / 22 11
78CDK16_HUMAN510 99% 0.30 PF00069 C1_S1567 - (47)20 8 / 245 / 250 318
79TTBK2_HUMAN68 84% 0.12 PF00069 C4_S172 - (9)20 3 / 42 / 10 11
80TESK1_HUMAN71 43% 0.21 PF07714 C4_S1103 - (9)20 12 / 24 / 17 17
81PKN2_HUMAN381 98% 0.20 PF00069 C3_S1503 - (105)20 3 / 140 / 160 101
82DDR2_HUMAN494 100% 0.17 PF00018 C1_S1548 - (80)20 140 / 204 / 133 108
83ACVR1_HUMAN93 100% 0.28 PF08515 C1_S1128 - (3)20 5 / 74 / 11 42
84DCLK3_HUMAN265 56% 0.21 PF00069 C1_S1328 - (80)20 3 / 88 / 150 73
85ALK_HUMAN391 100% 0.10 PF00018 C2_S1459 - (57)20 98 / 176 / 99 94
86LRRK2_HUMAN44 35% 0.04 PF00069 C2_S162 - (5)20 2 / 28 / 14 23
87MK11_HUMAN449 100% 0.48 PF00069 C1_S1574 - (42)20 108 / 213 / 112 302
88HCK_HUMAN499 100% 0.68 PF00018 C3_S1597 - (35)20 185 / 214 / 94 217
89AVR2B_HUMAN129 98% 0.29 PF08515 C2_S1178 - (13)20 4 / 91 / 36 45
90TNI3K_HUMAN239 100% 0.15 PF02196 C6_S1260 - (13)20 72 / 129 / 34 35
91EPHB1_HUMAN470 100% 0.17 PF00018 C2_S1517 - (42)20 146 / 193 / 123 156
92LIMK2_HUMAN39 100% 0.27 PF07714 C3_S160 - (7)20 4 / 6 / 21 7
93AKT2_HUMAN443 99% 0.45 PF00069 C2_S1620 - (108)20 53 / 245 / 137 198
94KSYK_HUMAN433 100% 0.45 PF00018 C4_S1508 - (66)20 80 / 240 / 104 176
95KC1G2_HUMAN85 99% 0.36 PF00069 C1_S199 - (12)20 - / 28 / 52 34
96BMPR2_HUMAN129 100% 0.17 PF08515 C4_S1171 - (7)20 18 / 78 / 29 30
97IRAK4_HUMAN412 100% 0.33 PF00018 C1_S1436 - (42)20 37 / 217 / 149 92
98KC1G3_HUMAN83 100% 0.34 PF00069 C1_S197 - (14)20 - / 28 / 50 33
99EPHB3_HUMAN455 99% 0.17 PF00018 C3_S1496 - (43)20 134 / 183 / 130 154
100CHK2_HUMAN373 100% 0.40 PF00069 C1_S1447 - (77)20 11 / 149 / 195 150

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