Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
KINOME (Jul 2013)

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)
150CLK4_HUMAN15 86% 0.543 PF00069 C1_S142 - (13)20 - / 12 / 8 8 1343 -0.39
151HIPK4_HUMAN49 33% 0.453 PF00069 C1_S1128 - (9)20 - / 10 / 46 34 814 -0.01
152GSK3A_HUMAN54 86% 0.817 PF00069 C1_S183 - (9)20 - / 10 / 42 43 1299 -0.23
153GSK3B_HUMAN44 100% 0.841 PF00069 C1_S175 - (7)20 - / 10 / 31 31 1824 -0.23
154CLK2_HUMAN12 99% 0.553 PF00069 C1_S138 - (12)12 - / 10 / 4 6 781 -0.44
155MKNK2_HUMAN31 100% 0.528 PF00069 C1_S181 - (17)20 - / 9 / 18 6 225 -0.18
156DYRK4_HUMAN14 35% 0.499 PF00069 C1_S141 - (15)13 - / 9 / 7 5 78 0.03
157KCC2B_HUMAN57 99% 0.550 PF00069 C1_S198 - (31)20 - / 8 / 45 17 540 -0.14
158PHKG2_HUMAN43 100% 0.539 PF00069 C1_S1112 - (35)20 - / 8 / 32 12 244 -0.28
159DYR1A_HUMAN20 34% 0.448 PF00069 C1_S143 - (12)20 - / 8 / 12 10 1117 -0.33
160HIPK2_HUMAN8 35% 0.445 PF00069 C1_S133 - (8)12 - / 7 / 6 6 203 -0.34
161EF2K_HUMAN8 41% 0.370 PF00520 C7_S116 - (16)6 - / 7 / 2 4 31 -0.09
162M3K10_HUMAN10 39% 0.538 PF00018 C1_S1117 - (15)11 - / 6 / 4 6 11 -0.21
163PAK4_HUMAN17 100% 0.606 PF00069 C1_S182 - (22)15 - / 5 / 12 8 218 -0.23
164DYRK3_HUMAN19 37% 0.495 PF00069 C1_S1121 - (10)19 - / 4 / 13 4 100 -0.20
165IKKB_HUMAN10 99% 0.493 PF00069 C3_S1101 - (24)11 - / 3 / 7 5 18 -0.65
166IKKA_HUMAN24 54% 0.632 PF00069 C1_S183 - (14)19 - / 2 / 20 10 74 -0.33
167KS6A3_HUMAN7 100% 0.610 PF00433 C2_S115 - (0)6 - / 2 / 5 4 149 -0.50
168LRRK2_HUMAN17 32% 0.485 PF07714 C2_S121 - (2)1 - / 1 / - ---
169SRPK1_HUMAN15 100% 0.582 PF00069 C1_S115 - (0)1 - / - / 1 ---
170LIMK1_HUMAN20 100% 0.560 PF00018 101 - (9)1 - / - / - ---
171FLT3L_HUMAN5 99% 0.611 PF02947 2 - (0)0 - / - / - ---

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