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]
50MUSK_HUMAN479 97% 0.18 PF00018 C6_S1593 - (74)20 74 / 186 / 205 117
51SRMS_HUMAN477 56% 0.42 PF00018 C3_S1576 - (31)20 161 / 213 / 96 183
52CD11B_HUMAN477 45% 0.20 PF00069 C1_S1527 - (43)20 1 / 118 / 337 215
53CD11A_HUMAN476 45% 0.20 PF00069 C1_S1527 - (43)20 1 / 117 / 339 209
54ROS1_HUMAN473 100% 0.07 PF00018 C4_S1529 - (74)20 42 / 238 / 190 55
55EPHB1_HUMAN470 100% 0.17 PF00018 C2_S1517 - (42)20 146 / 193 / 123 156
56CSF1R_HUMAN470 88% 0.16 PF00018 C7_S1554 - (64)20 77 / 167 / 196 83
57EPHB2_HUMAN469 100% 0.15 PF00018 C1_S1509 - (42)20 138 / 185 / 134 149
58EPHA5_HUMAN468 88% 0.17 PF00018 C2_S1496 - (45)20 135 / 189 / 129 154
59GSK3B_HUMAN466 100% 0.72 PF00069 C1_S1515 - (38)20 5 / 145 / 303 240
60FGFR3_HUMAN466 98% 0.22 PF00018 C4_S1584 - (69)20 154 / 196 / 105 157
61EPHA4_HUMAN464 99% 0.21 PF00018 C2_S1511 - (45)20 130 / 183 / 139 166
62EPHA7_HUMAN463 100% 0.18 PF00018 C3_S1492 - (38)20 72 / 154 / 225 160
63EPHA3_HUMAN462 99% 0.18 PF00018 C1_S1486 - (45)20 132 / 181 / 133 147
64EPHA6_HUMAN462 74% 0.17 PF00018 C3_S1491 - (36)20 103 / 194 / 155 121
65MK01_HUMAN459 100% 0.78 PF00069 C1_S1541 - (45)20 44 / 200 / 202 299
66EPHB3_HUMAN455 99% 0.17 PF00018 C3_S1496 - (43)20 134 / 183 / 130 154
67YES_HUMAN454 90% 0.70 PF00018 C2_S1531 - (26)20 147 / 199 / 83 178
68MK14_HUMAN453 100% 0.78 PF00069 C1_S1541 - (40)20 110 / 210 / 110 307
69PGFRB_HUMAN453 72% 0.16 PF00018 C8_S1523 - (44)20 8 / 46 / 337 68
70FGR_HUMAN452 80% 0.53 PF00018 C1_S1528 - (22)20 147 / 205 / 80 184
71FYN_HUMAN452 85% 0.67 PF00018 C4_S1522 - (22)20 149 / 191 / 91 182
72MK12_HUMAN452 100% 0.55 PF00069 C1_S1526 - (39)20 87 / 204 / 141 141
73EPHA8_HUMAN452 100% 0.16 PF00018 C5_S1496 - (35)20 82 / 215 / 147 114
74MK08_HUMAN450 100% 0.39 PF00069 C1_S1522 - (31)20 85 / 221 / 127 278
75PGFRA_HUMAN449 99% 0.18 PF00018 C7_S1539 - (48)20 8 / 48 / 355 16
76MK11_HUMAN449 100% 0.48 PF00069 C1_S1574 - (42)20 108 / 213 / 112 302
77MK07_HUMAN448 100% 0.26 PF00069 C1_S1544 - (48)20 41 / 197 / 184 248
78AAPK2_HUMAN448 100% 0.42 PF00069 C3_S1558 - (95)20 28 / 174 / 183 137
79MK03_HUMAN448 100% 0.69 PF00069 C1_S1546 - (45)20 45 / 196 / 197 282
80FGFR1_HUMAN448 100% 0.22 PF00018 C6_S1565 - (70)20 151 / 186 / 98 153
81AKT3_HUMAN447 87% 0.46 PF00069 C1_S1556 - (117)20 28 / 240 / 162 181
82MK10_HUMAN446 100% 0.41 PF00069 C2_S1545 - (29)20 93 / 227 / 113 276
83MK13_HUMAN444 100% 0.52 PF00069 C1_S1538 - (39)20 84 / 205 / 138 307
84AKT1_HUMAN444 100% 0.45 PF00069 C2_S1605 - (107)20 45 / 241 / 138 202
85MK09_HUMAN444 98% 0.39 PF00069 C1_S1520 - (31)20 98 / 231 / 105 278
86NTRK2_HUMAN443 100% 0.20 PF00018 C4_S1550 - (61)20 82 / 231 / 125 155
87MERTK_HUMAN443 100% 0.17 PF00018 C3_S1577 - (63)20 117 / 198 / 117 117
88AKT2_HUMAN443 99% 0.45 PF00069 C2_S1620 - (108)20 53 / 245 / 137 198
89AAPK1_HUMAN443 99% 0.36 PF00069 C5_S1519 - (91)20 34 / 233 / 162 140
90SGK2_HUMAN439 73% 0.38 PF00069 C2_S1736 - (118)19 6 / 198 / 212 183
91JAK2_HUMAN437 99% 0.22 PF00018 C1_S1490 - (20)20 95 / 266 / 73 145
92TIE1_HUMAN436 82% 0.13 PF00018 C2_S1568 - (59)19 54 / 180 / 184 117
93KPCG_HUMAN435 77% 0.36 PF00069 C2_S1564 - (115)20 16 / 241 / 160 135
94KSYK_HUMAN433 100% 0.45 PF00018 C4_S1508 - (66)20 80 / 240 / 104 176
95SGK1_HUMAN433 99% 0.37 PF00069 C2_S1579 - (119)20 12 / 203 / 187 168
96NLK_HUMAN429 47% 0.32 PF00069 C1_S1532 - (42)20 44 / 209 / 157 269
97SGK3_HUMAN428 73% 0.32 PF00069 C1_S1753 - (117)20 10 / 149 / 212 161
98NTRK1_HUMAN427 100% 0.21 PF00018 C4_S1551 - (61)20 83 / 214 / 121 111
99JAK1_HUMAN427 99% 0.22 PF07714 C2_S1513 - (39)20 59 / 279 / 83 137
100SIK3_HUMAN425 59% 0.12 PF00069 C2_S1517 - (110)20 10 / 163 / 231 52

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