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)
50CSK21_HUMAN82 100% 0.808 PF00069 C1_S1126 - (20)20 2 / 29 / 39 30 639 -0.10
51CDK8_HUMAN102 100% 0.587 PF00069 C1_S1142 - (8)20 3 / 19 / 84 83 727 -0.34
52CDK9_HUMAN99 99% 0.675 PF00069 C1_S1120 - (10)20 2 / 30 / 67 80 562 -0.49
53HIPK4_HUMAN49 33% 0.453 PF00069 C1_S1128 - (9)20 - / 10 / 46 34 814 -0.01
54CDK19_HUMAN103 91% 0.609 PF00069 C1_S1144 - (9)20 4 / 20 / 85 88 112 -0.21
55SRPK1_HUMAN15 100% 0.582 PF00069 C1_S115 - (0)1 - / - / 1 ---
56TOPK_HUMAN20 29% 0.537 PF00069 C1_S153 - (15)1 1 / - / - ---
57WEE1_HUMAN6 100% 0.561 PF00069 C1_S137 - (9)12 3 / 4 / 3 8 49 -0.41
58HIPK2_HUMAN8 35% 0.445 PF00069 C1_S133 - (8)12 - / 7 / 6 6 203 -0.34
59IRAK1_HUMAN43 38% 0.501 PF00069 C2_S199 - (10)20 2 / 22 / 23 17 606 -0.07
60CLK4_HUMAN15 86% 0.543 PF00069 C1_S142 - (13)20 - / 12 / 8 8 1343 -0.39
61CLK2_HUMAN12 99% 0.553 PF00069 C1_S138 - (12)12 - / 10 / 4 6 781 -0.44
62PAK4_HUMAN17 100% 0.606 PF00069 C1_S182 - (22)15 - / 5 / 12 8 218 -0.23
63KC1D_HUMAN25 100% 0.812 PF00069 C1_S147 - (5)18 - / 18 / 11 14 893 -0.20
64KC1G1_HUMAN25 89% 0.535 PF00069 C1_S157 - (8)19 - / 15 / 15 13 551 0.10
65DYR1A_HUMAN20 34% 0.448 PF00069 C1_S143 - (12)20 - / 8 / 12 10 1117 -0.33
66KC1G2_HUMAN25 89% 0.514 PF00069 C1_S148 - (5)19 - / 15 / 15 13 657 -0.03
67KC1G3_HUMAN25 100% 0.505 PF00069 C1_S150 - (6)19 - / 15 / 14 13 447 -0.06
68KC1A_HUMAN25 76% 0.567 PF00069 C1_S147 - (7)20 - / 21 / 10 14 741 -0.46
69DYRK4_HUMAN14 35% 0.499 PF00069 C1_S141 - (15)13 - / 9 / 7 5 78 0.03
70PDPK1_HUMAN57 100% 0.540 PF00069 C2_S192 - (16)20 4 / 38 / 13 37 440 -0.18
71NEK4_HUMAN26 50% 0.684 PF00069 C1_S1119 - (24)20 1 / 17 / 10 21 523 -0.10
72M4K5_HUMAN48 48% 0.524 PF00069 C2_S1104 - (30)20 1 / 28 / 21 17 558 -0.35
73MP2K2_HUMAN41 86% 0.641 PF00069 C1_S1102 - (36)20 4 / 39 / 17 18 339 -0.54
74IKKE_HUMAN29 72% 0.502 PF00069 C2_S175 - (17)19 - / 17 / 9 12 228 -0.70
75MINK1_HUMAN46 89% 0.569 PF00069 C1_S1109 - (32)20 2 / 19 / 23 16 667 -0.28
76M4K4_HUMAN44 91% 0.567 PF00069 C2_S1120 - (33)20 2 / 19 / 20 15 1408 -0.38
77PAK1_HUMAN46 100% 0.584 PF00069 C1_S1121 - (35)20 - / 20 / 27 14 162 -0.03
78KKCC2_HUMAN29 100% 0.518 PF00069 C1_S188 - (14)20 - / 15 / 12 14 25 -0.16
79M4K2_HUMAN53 48% 0.554 PF00069 C1_S1104 - (27)20 4 / 23 / 28 23 1031 -0.42
80KCC2B_HUMAN57 99% 0.550 PF00069 C1_S198 - (31)20 - / 8 / 45 17 540 -0.14
81CHK2_HUMAN74 100% 0.621 PF00069 C1_S1123 - (30)20 1 / 24 / 50 38 567 -0.25
82AKT2_HUMAN100 100% 0.585 PF00069 C1_S1127 - (32)20 8 / 66 / 27 49 342 -0.21
83PLK1_HUMAN14 100% 0.592 PF00069 C2_S198 - (12)15 4 / 9 / 5 11 287 -0.29
84AKT1_HUMAN100 100% 0.556 PF00069 C1_S1282 - (27)20 8 / 67 / 25 48 438 -0.42
85STK3_HUMAN77 91% 0.554 PF00069 C4_S1133 - (47)20 9 / 44 / 28 36 828 -0.17
86STK33_HUMAN29 39% 0.583 PF00069 C1_S199 - (28)20 - / 12 / 14 7 2 -1.00
87KCC2D_HUMAN56 99% 0.559 PF00069 C1_S1100 - (30)20 - / 14 / 43 15 641 -0.16
88KCC2A_HUMAN61 100% 0.567 PF00069 C1_S1100 - (37)20 - / 12 / 47 19 257 -0.60
89KCC2G_HUMAN58 99% 0.547 PF00069 C2_S1100 - (30)20 - / 14 / 45 16 578 -0.14
90TSSK1_HUMAN39 39% 0.555 PF00069 C1_S1113 - (18)20 - / 22 / 14 21 172 -0.25
91SLK_HUMAN50 98% 0.526 PF00069 C1_S1134 - (51)20 2 / 25 / 36 17 602 -0.22
92AAPK1_HUMAN81 100% 0.565 PF00069 C4_S1122 - (14)20 - / 45 / 40 41 847 -0.42
93PLK4_HUMAN61 99% 0.539 PF00069 C2_S1114 - (14)20 3 / 30 / 25 37 875 -0.36
94MAPK2_HUMAN34 100% 0.672 PF00069 C1_S187 - (19)20 - / 21 / 16 14 297 -0.28
95KPCD3_HUMAN43 39% 0.571 PF00069 C1_S1120 - (40)20 - / 13 / 29 13 874 -0.39
96TSSK2_HUMAN53 39% 0.488 PF00069 C1_S1122 - (17)20 - / 23 / 30 23 112 -0.14
97KPCD2_HUMAN47 37% 0.525 PF00069 C1_S1118 - (44)20 - / 12 / 32 12 591 -0.17
98KCC1A_HUMAN92 100% 0.599 PF00069 C1_S1133 - (34)20 - / 45 / 51 37 190 -0.24
99PHKG2_HUMAN43 100% 0.539 PF00069 C1_S1112 - (35)20 - / 8 / 32 12 244 -0.28
100KS6A4_HUMAN87 69% 0.584 PF00069 C1_S1103 - (23)20 7 / 52 / 30 49 53 0.06

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