Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
BDB (Jul 2014)

Download : Data.csv | 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
Screening
(Multi Mol2 user file : ALL)




Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number] Nb
R (BestAtome)
200PF00069_MARK3_HUMAN12 99% 0.225 PF00069 C1_S129 - (7)10 3 / 7 / 2 7 3 0.67
201PF00069_MAST1_HUMAN13 61% 0.106 PF00069 C1_S129 - (5)14 - / 5 / 11 14 8 0.34
202PF00069_MAST3_HUMAN18 88% 0.129 PF00069 C1_S143 - (5)18 - / 6 / 14 15--
203PF00069_MELK_HUMAN13 99% 0.263 PF00069 C1_S126 - (5)13 - / 7 / 5 10 8 0.27
204PF00069_MINK1_HUMAN13 89% 0.118 PF00069 C1_S118 - (0)12 - / 4 / 7 9--
205PF00069_MK01_HUMAN48 100% 0.782 PF00069 C1_S181 - (14)20 3 / 23 / 23 29 318 0.51
206PF00069_MK01_MOUSE49 100% 0.778 PF00069 C1_S185 - (14)20 3 / 25 / 26 29--
207PF00069_MK01_RAT49 100% 0.778 PF00069 C1_S185 - (14)20 3 / 25 / 26 29--
208PF00069_MK03_HUMAN46 88% 0.693 PF00069 C1_S182 - (15)20 2 / 23 / 25 28 5 -0.04
209PF00069_MK04_HUMAN12 73% 0.241 PF00069 C1_S137 - (8)14 - / 3 / 10 7 1 -
210PF00069_MK06_HUMAN11 100% 0.254 PF00069 C1_S129 - (9)12 - / 3 / 8 7--
211PF00069_MK07_HUMAN14 100% 0.250 PF00069 C1_S120 - (7)12 - / 7 / 7 8 7 0.12
212PF00069_MK08_HUMAN37 100% 0.418 PF00069 C1_S148 - (7)20 6 / 19 / 10 29 55 -0.08
213PF00069_MK08_MOUSE36 100% 0.469 PF00069 C1_S149 - (8)20 6 / 18 / 10 28 7 -0.36
214PF00069_MK08_RAT37 99% 0.421 PF00069 C1_S150 - (8)20 6 / 19 / 10 29--
215PF00069_MK09_HUMAN32 97% 0.398 PF00069 C1_S152 - (6)11 4 / 23 / 11 9 9 0.23
216PF00069_MK09_MOUSE51 95% 0.399 PF00069 C1_S176 - (7)20 11 / 36 / 13 27--
217PF00069_MK10_HUMAN37 100% 0.384 PF00069 C2_S150 - (7)20 9 / 16 / 10 26 137 0.35
218PF00069_MK10_RAT37 99% 0.382 PF00069 C2_S150 - (7)20 10 / 16 / 10 26--
219PF00069_MK11_HUMAN41 99% 0.482 PF00069 C1_S152 - (5)20 14 / 23 / 4 34 29 0.53
220PF00069_MK11_MOUSE44 96% 0.498 PF00069 C1_S149 - (0)20 11 / 28 / 5 36--
221PF00069_MK12_HUMAN24 67% 0.549 PF00069 C1_S137 - (6)20 3 / 16 / 5 19 9 -0.19
222PF00069_MK13_HUMAN24 100% 0.538 PF00069 C1_S136 - (6)20 2 / 16 / 6 20 5 -0.20
223PF00069_MK14_HUMAN51 100% 0.777 PF00069 C1_S169 - (5)20 13 / 25 / 16 41 271 0.12
224PF00069_MK14_MOUSE30 100% 0.745 PF00069 C1_S142 - (5)20 6 / 14 / 9 19 19 -0.02
225PF00069_MK14_RAT31 99% 0.742 PF00069 C1_S143 - (5)20 5 / 15 / 9 19--
226PF00069_MKNK2_HUMAN16 100% 0.307 PF00069 C1_S140 - (1)16 - / 4 / 5 8 12 0.08
227PF00069_MP2K1_HUMAN37 100% 0.469 PF00069 C1_S186 - (33)20 5 / 40 / 17 10 22 0.30
228PF00069_MP2K1_MOUSE37 99% 0.470 PF00069 C1_S185 - (33)20 5 / 39 / 17 10--
229PF00069_MP2K1_RABIT37 99% 0.467 PF00069 C1_S187 - (34)20 5 / 40 / 17 10--
230PF00069_MP2K2_HUMAN37 86% 0.500 PF00069 C1_S189 - (35)20 5 / 41 / 17 13 31 0.26
231PF00069_MP2K3_HUMAN18 84% 0.474 PF00069 C1_S155 - (23)20 3 / 21 / 8 7 11 -0.27
232PF00069_MP2K4_HUMAN19 100% 0.365 PF00069 C1_S153 - (25)20 - / 20 / 14 18 18 0.16
233PF00069_MP2K6_HUMAN18 100% 0.396 PF00069 C1_S151 - (22)20 3 / 24 / 6 14 10 -0.11
234PF00069_MP2K7_HUMAN16 98% 0.353 PF00069 C1_S146 - (22)20 3 / 14 / 10 6--
235PF00069_MRCKB_HUMAN16 100% 0.128 PF08912 C1_S120 - (4)15 - / 3 / 15 10 9 -0.19
236PF00069_MST4_HUMAN16 100% 0.365 PF00069 C1_S136 - (11)19 - / 9 / 9 13 13 0.63
237PF00069_MYLK2_HUMAN17 100% 0.237 PF00069 C1_S129 - (12)16 - / 7 / 8 10 11 0.01
238PF00069_MYLK3_HUMAN16 70% 0.169 PF00069 C1_S128 - (11)15 - / 6 / 9 10 7 -0.25
239PF00069_MYLK4_HUMAN18 100% 0.346 PF00069 C1_S128 - (11)17 - / 8 / 10 11 9 0.47
240PF00069_MYLK_CHICK6 52% 0.113 PF00069 C2_S19 - (0)8 - / 2 / 4 6 3 1.00
241PF00069_NEK1_HUMAN21 100% 0.161 PF00069 C1_S149 - (9)20 1 / 14 / 7 15 10 -0.03
242PF00069_NEK2_HUMAN19 100% 0.312 PF00069 C1_S144 - (0)20 1 / 15 / 4 16 23 0.38
243PF00069_NEK5_HUMAN21 62% 0.201 PF00069 C1_S144 - (7)20 1 / 12 / 9 17 15 0.06
244PF00069_NEK6_HUMAN11 81% 0.420 PF00069 C1_S139 - (10)12 - / 6 / 6 9 7 -0.28
245PF00069_OXSR1_HUMAN20 100% 0.275 PF00069 C1_S142 - (16)15 - / 6 / 15 11 7 0.23
246PF00069_PAK1_HUMAN18 100% 0.299 PF00069 C1_S139 - (13)16 1 / 9 / 13 10 8 0.07
247PF00069_PAK2_HUMAN19 91% 0.338 PF00069 C1_S145 - (13)17 1 / 10 / 14 12 7 0.39
248PF00069_PAK3_HUMAN18 95% 0.313 PF00069 C1_S143 - (13)16 - / 12 / 13 10 6 0.05
249PF00069_PAK4_HUMAN25 100% 0.390 PF00069 C1_S156 - (15)17 3 / 11 / 18 11 28 0.48
250PF00069_PAK6_HUMAN24 100% 0.229 PF00069 C1_S167 - (17)18 3 / 14 / 13 10 8 0.51

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