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)
100ACVR1_HUMAN27 99% 0.501 PF08515 C1_S161 - (4)20 1 / 24 / 4 14 423 -0.44
101MARK3_HUMAN68 99% 0.562 PF00069 C2_S1106 - (15)20 - / 23 / 47 33 754 -0.27
102KAPCA_HUMAN98 99% 0.855 PF00069 C1_S1123 - (25)20 8 / 47 / 41 48 1162 -0.48
103AURKB_HUMAN91 99% 0.579 PF00069 C1_S1109 - (12)20 12 / 57 / 22 62 1649 -0.43
104SGK1_HUMAN54 99% 0.561 PF00433 C1_S186 - (14)20 2 / 37 / 18 30 731 -0.29
105PASK_HUMAN71 99% 0.455 PF00069 C1_S1114 - (20)20 - / 24 / 45 16 55 -0.34
106KCC2G_HUMAN58 99% 0.547 PF00069 C2_S1100 - (30)20 - / 14 / 45 16 578 -0.14
107MRCKA_HUMAN43 99% 0.588 PF08912 C3_S161 - (10)20 - / 16 / 26 19 597 -0.21
108KCC2B_HUMAN57 99% 0.550 PF00069 C1_S198 - (31)20 - / 8 / 45 17 540 -0.14
109KCC2D_HUMAN56 99% 0.559 PF00069 C1_S1100 - (30)20 - / 14 / 43 15 641 -0.16
110PLK4_HUMAN61 99% 0.539 PF00069 C2_S1114 - (14)20 3 / 30 / 25 37 875 -0.36
111DAPK3_HUMAN61 99% 0.605 PF00069 C1_S1101 - (38)20 1 / 17 / 41 15 778 -0.48
112TBK1_HUMAN41 99% 0.592 PF00069 C2_S190 - (28)20 1 / 14 / 23 11 182 -0.62
113ROCK2_HUMAN44 98% 0.585 PF08912 C3_S170 - (11)20 - / 18 / 27 22 1233 -0.30
114BMX_HUMAN20 98% 0.573 PF00018 C1_S1134 - (6)20 7 / 10 / 2 ---
115SLK_HUMAN50 98% 0.526 PF00069 C1_S1134 - (51)20 2 / 25 / 36 17 602 -0.22
116FGFR3_HUMAN20 98% 0.606 PF07714 C3_S1116 - (32)20 2 / 12 / 5 ---
117MK09_HUMAN89 97% 0.494 PF00069 C1_S1111 - (9)20 15 / 51 / 23 47 812 -0.42
118CSF1R_HUMAN87 94% 0.582 PF07714 C6_S1110 - (19)20 20 / 40 / 25 33 352 -0.62
119CDK19_HUMAN103 91% 0.609 PF00069 C1_S1144 - (9)20 4 / 20 / 85 88 112 -0.21
120STK3_HUMAN77 91% 0.554 PF00069 C4_S1133 - (47)20 9 / 44 / 28 36 828 -0.17
121M4K4_HUMAN44 91% 0.567 PF00069 C2_S1120 - (33)20 2 / 19 / 20 15 1408 -0.38
122KC1G2_HUMAN25 89% 0.514 PF00069 C1_S148 - (5)19 - / 15 / 15 13 657 -0.03
123KC1G1_HUMAN25 89% 0.535 PF00069 C1_S157 - (8)19 - / 15 / 15 13 551 0.10
124MINK1_HUMAN46 89% 0.569 PF00069 C1_S1109 - (32)20 2 / 19 / 23 16 667 -0.28
125TAOK1_HUMAN37 89% 0.589 PF00069 C1_S1113 - (22)20 2 / 10 / 21 11 412 -0.44
126GSK3A_HUMAN54 86% 0.817 PF00069 C1_S183 - (9)20 - / 10 / 42 43 1299 -0.23
127AKT3_HUMAN71 86% 0.566 PF00433 C1_S192 - (23)20 4 / 42 / 21 34 382 -0.44
128CLK4_HUMAN15 86% 0.543 PF00069 C1_S142 - (13)20 - / 12 / 8 8 1343 -0.39
129MP2K2_HUMAN41 86% 0.641 PF00069 C1_S1102 - (36)20 4 / 39 / 17 18 339 -0.54
130MARK4_HUMAN75 86% 0.590 PF00069 C3_S1108 - (14)20 1 / 29 / 48 47 44 -0.53
131KPCZ_HUMAN60 85% 0.647 PF00433 C2_S185 - (22)20 - / 21 / 40 29 164 -0.23
132KCC1D_HUMAN80 84% 0.633 PF00069 C1_S1115 - (41)20 - / 37 / 47 27 231 -0.62
133KC1A_HUMAN25 76% 0.567 PF00069 C1_S147 - (7)20 - / 21 / 10 14 741 -0.46
134PIM3_HUMAN75 75% 0.562 PF00069 C1_S1121 - (18)20 - / 38 / 35 50 669 -0.14
135KPCG_HUMAN57 75% 0.535 PF00433 C1_S181 - (27)20 - / 38 / 24 27 467 -0.33
136KPCD_HUMAN24 72% 0.606 PF00433 C3_S141 - (8)12 - / 21 / 4 14 149 -0.30
137GRK5_HUMAN54 72% 0.572 PF00433 C1_S185 - (28)20 - / 31 / 20 26 342 -0.63
138IKKE_HUMAN29 72% 0.502 PF00069 C2_S175 - (17)19 - / 17 / 9 12 228 -0.70
139KS6A4_HUMAN87 69% 0.584 PF00069 C1_S1103 - (23)20 7 / 52 / 30 49 53 0.06
140CDK1_HUMAN100 66% 0.599 PF00069 C1_S1121 - (10)20 - / 39 / 57 47 798 -0.28
141ST17A_HUMAN46 60% 0.514 PF00069 C1_S1101 - (33)20 - / 15 / 30 13 598 -0.27
142IKKA_HUMAN24 54% 0.632 PF00069 C1_S183 - (14)19 - / 2 / 20 10 74 -0.33
143SIK2_HUMAN59 54% 0.522 PF00069 C1_S192 - (20)20 2 / 24 / 35 26 59 0.18
144PRKX_HUMAN93 53% 0.530 PF00069 C1_S1116 - (28)20 6 / 52 / 34 50 785 -0.47
145PLK3_HUMAN18 53% 0.605 PF00069 C1_S1130 - (15)20 7 / 8 / 5 14 541 -0.26
146PKN2_HUMAN50 51% 0.633 PF00433 C2_S179 - (22)20 1 / 39 / 14 29 826 -0.37
147BRSK1_HUMAN70 50% 0.620 PF00069 C3_S1106 - (38)20 - / 22 / 49 23 618 -0.08
148NEK4_HUMAN26 50% 0.684 PF00069 C1_S1119 - (24)20 1 / 17 / 10 21 523 -0.10
149M4K2_HUMAN53 48% 0.554 PF00069 C1_S1104 - (27)20 4 / 23 / 28 23 1031 -0.42
150M4K5_HUMAN48 48% 0.524 PF00069 C2_S1104 - (30)20 1 / 28 / 21 17 558 -0.35

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