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)
50GSK3A_HUMAN54 86% 0.817 PF00069 C1_S183 - (9)20 - / 10 / 42 43 1299 -0.23
51GSK3B_HUMAN44 100% 0.841 PF00069 C1_S175 - (7)20 - / 10 / 31 31 1824 -0.23
52HCK_HUMAN104 100% 0.814 PF00018 C4_S1122 - (7)20 37 / 46 / 18 26 55 -0.18
53HIPK2_HUMAN8 35% 0.445 PF00069 C1_S133 - (8)12 - / 7 / 6 6 203 -0.34
54HIPK4_HUMAN49 33% 0.453 PF00069 C1_S1128 - (9)20 - / 10 / 46 34 814 -0.01
55IGF1R_HUMAN67 100% 0.823 PF07714 C2_S1108 - (13)20 7 / 37 / 19 36 267 -0.64
56IKKA_HUMAN24 54% 0.632 PF00069 C1_S183 - (14)19 - / 2 / 20 10 74 -0.33
57IKKB_HUMAN10 99% 0.493 PF00069 C3_S1101 - (24)11 - / 3 / 7 5 18 -0.65
58IKKE_HUMAN29 72% 0.502 PF00069 C2_S175 - (17)19 - / 17 / 9 12 228 -0.70
59INSR_HUMAN73 100% 0.787 PF07714 C2_S1141 - (11)20 7 / 40 / 21 39 281 -0.25
60IRAK1_HUMAN43 38% 0.501 PF00069 C2_S199 - (10)20 2 / 22 / 23 17 606 -0.07
61IRAK4_HUMAN57 100% 0.500 PF00018 C2_S1113 - (8)20 8 / 34 / 18 20 602 -0.02
62ITK_HUMAN88 100% 0.662 PF00018 C5_S1159 - (6)20 14 / 51 / 23 40 351 -0.21
63JAK2_HUMAN93 100% 0.554 PF00018 C2_S1166 - (12)20 37 / 45 / 10 27 732 -0.35
64JAK3_HUMAN76 100% 0.573 PF07714 C1_S1128 - (18)20 13 / 34 / 23 32 700 -0.32
65KAPCA_HUMAN98 99% 0.855 PF00069 C1_S1123 - (25)20 8 / 47 / 41 48 1162 -0.48
66KC1A_HUMAN25 76% 0.567 PF00069 C1_S147 - (7)20 - / 21 / 10 14 741 -0.46
67KC1D_HUMAN25 100% 0.812 PF00069 C1_S147 - (5)18 - / 18 / 11 14 893 -0.20
68KC1G1_HUMAN25 89% 0.535 PF00069 C1_S157 - (8)19 - / 15 / 15 13 551 0.10
69KC1G2_HUMAN25 89% 0.514 PF00069 C1_S148 - (5)19 - / 15 / 15 13 657 -0.03
70KC1G3_HUMAN25 100% 0.505 PF00069 C1_S150 - (6)19 - / 15 / 14 13 447 -0.06
71KCC1A_HUMAN92 100% 0.599 PF00069 C1_S1133 - (34)20 - / 45 / 51 37 190 -0.24
72KCC1D_HUMAN80 84% 0.633 PF00069 C1_S1115 - (41)20 - / 37 / 47 27 231 -0.62
73KCC2A_HUMAN61 100% 0.567 PF00069 C1_S1100 - (37)20 - / 12 / 47 19 257 -0.60
74KCC2B_HUMAN57 99% 0.550 PF00069 C1_S198 - (31)20 - / 8 / 45 17 540 -0.14
75KCC2D_HUMAN56 99% 0.559 PF00069 C1_S1100 - (30)20 - / 14 / 43 15 641 -0.16
76KCC2G_HUMAN58 99% 0.547 PF00069 C2_S1100 - (30)20 - / 14 / 45 16 578 -0.14
77KGP1_HUMAN87 45% 0.582 PF00069 C3_S1108 - (29)20 6 / 50 / 32 50 397 -0.36
78KGP2_HUMAN90 46% 0.544 PF00069 C4_S1110 - (27)20 6 / 47 / 37 48 249 -0.25
79KIT_HUMAN96 100% 0.579 PF07714 C5_S1168 - (13)20 23 / 39 / 31 32 406 -0.31
80KKCC2_HUMAN29 100% 0.518 PF00069 C1_S188 - (14)20 - / 15 / 12 14 25 -0.16
81KPCD2_HUMAN47 37% 0.525 PF00069 C1_S1118 - (44)20 - / 12 / 32 12 591 -0.17
82KPCD3_HUMAN43 39% 0.571 PF00069 C1_S1120 - (40)20 - / 13 / 29 13 874 -0.39
83KPCD_HUMAN24 72% 0.606 PF00433 C3_S141 - (8)12 - / 21 / 4 14 149 -0.30
84KPCG_HUMAN57 75% 0.535 PF00433 C1_S181 - (27)20 - / 38 / 24 27 467 -0.33
85KPCI_HUMAN47 99% 0.645 PF00433 C2_S165 - (15)20 - / 20 / 29 30 124 -0.25
86KPCT_HUMAN56 100% 0.625 PF00433 C1_S177 - (20)20 1 / 39 / 20 27 342 -0.50
87KPCZ_HUMAN60 85% 0.647 PF00433 C2_S185 - (22)20 - / 21 / 40 29 164 -0.23
88KS6A3_HUMAN7 100% 0.610 PF00433 C2_S115 - (0)6 - / 2 / 5 4 149 -0.50
89KS6A4_HUMAN87 69% 0.584 PF00069 C1_S1103 - (23)20 7 / 52 / 30 49 53 0.06
90KS6A5_HUMAN41 100% 0.598 PF00433 C1_S153 - (10)20 2 / 29 / 10 24 351 -0.41
91KS6B1_HUMAN50 100% 0.601 PF00433 C1_S183 - (13)20 2 / 29 / 20 24 1030 -0.12
92KSYK_HUMAN98 100% 0.528 PF01030 C2_S1165 - (20)20 19 / 45 / 32 41 349 -0.13
93LCK_HUMAN104 100% 0.761 PF00018 C3_S1226 - (5)20 36 / 49 / 15 46 974 -0.56
94LIMK1_HUMAN20 100% 0.560 PF00018 101 - (9)1 - / - / - ---
95LRRK2_HUMAN17 32% 0.485 PF07714 C2_S121 - (2)1 - / 1 / - ---
96LTK_HUMAN62 100% 0.530 PF07714 C1_S1165 - (21)20 8 / 32 / 17 27 527 -0.63
97LYN_HUMAN106 100% 0.612 PF00018 C3_S1188 - (7)20 37 / 48 / 18 27 623 -0.52
98M3K10_HUMAN10 39% 0.538 PF00018 C1_S1117 - (15)11 - / 6 / 4 6 11 -0.21
99M4K2_HUMAN53 48% 0.554 PF00069 C1_S1104 - (27)20 4 / 23 / 28 23 1031 -0.42
100M4K4_HUMAN44 91% 0.567 PF00069 C2_S1120 - (33)20 2 / 19 / 20 15 1408 -0.38

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