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)
100TSSK2_HUMAN53 39% 0.488 PF00069 C1_S1122 - (17)20 - / 23 / 30 23 112 -0.14
101FRK_HUMAN53 100% 0.598 PF00018 C1_S1124 - (5)20 17 / 23 / 11 21 560 -0.43
102M4K2_HUMAN53 48% 0.554 PF00069 C1_S1104 - (27)20 4 / 23 / 28 23 1031 -0.42
103DYR1B_HUMAN51 35% 0.507 PF00069 C1_S181 - (16)20 - / 25 / 23 18 605 -0.55
104PKN2_HUMAN50 51% 0.633 PF00433 C2_S179 - (22)20 1 / 39 / 14 29 826 -0.37
105KS6B1_HUMAN50 100% 0.601 PF00433 C1_S183 - (13)20 2 / 29 / 20 24 1030 -0.12
106SLK_HUMAN50 98% 0.526 PF00069 C1_S1134 - (51)20 2 / 25 / 36 17 602 -0.22
107HIPK4_HUMAN49 33% 0.453 PF00069 C1_S1128 - (9)20 - / 10 / 46 34 814 -0.01
108M4K5_HUMAN48 48% 0.524 PF00069 C2_S1104 - (30)20 1 / 28 / 21 17 558 -0.35
109KPCD2_HUMAN47 37% 0.525 PF00069 C1_S1118 - (44)20 - / 12 / 32 12 591 -0.17
110KPCI_HUMAN47 99% 0.645 PF00433 C2_S165 - (15)20 - / 20 / 29 30 124 -0.25
111BRAF_HUMAN47 100% 0.570 PF00018 C2_S1106 - (6)18 16 / 27 / 4 24 14 -
112ST17A_HUMAN46 60% 0.514 PF00069 C1_S1101 - (33)20 - / 15 / 30 13 598 -0.27
113MINK1_HUMAN46 89% 0.569 PF00069 C1_S1109 - (32)20 2 / 19 / 23 16 667 -0.28
114PAK1_HUMAN46 100% 0.584 PF00069 C1_S1121 - (35)20 - / 20 / 27 14 162 -0.03
115ROCK2_HUMAN44 98% 0.585 PF08912 C3_S170 - (11)20 - / 18 / 27 22 1233 -0.30
116M4K4_HUMAN44 91% 0.567 PF00069 C2_S1120 - (33)20 2 / 19 / 20 15 1408 -0.38
117MK12_HUMAN44 100% 0.596 PF00069 C1_S1114 - (8)17 10 / 25 / 10 22 106 -0.00
118GSK3B_HUMAN44 100% 0.841 PF00069 C1_S175 - (7)20 - / 10 / 31 31 1824 -0.23
119MRCKA_HUMAN43 99% 0.588 PF08912 C3_S161 - (10)20 - / 16 / 26 19 597 -0.21
120IRAK1_HUMAN43 38% 0.501 PF00069 C2_S199 - (10)20 2 / 22 / 23 17 606 -0.07
121PHKG2_HUMAN43 100% 0.539 PF00069 C1_S1112 - (35)20 - / 8 / 32 12 244 -0.28
122KPCD3_HUMAN43 39% 0.571 PF00069 C1_S1120 - (40)20 - / 13 / 29 13 874 -0.39
123MP2K1_HUMAN42 100% 0.588 PF00069 C1_S1140 - (38)20 6 / 37 / 18 15 403 -0.21
124TBK1_HUMAN41 99% 0.592 PF00069 C2_S190 - (28)20 1 / 14 / 23 11 182 -0.62
125KS6A5_HUMAN41 100% 0.598 PF00433 C1_S153 - (10)20 2 / 29 / 10 24 351 -0.41
126MP2K2_HUMAN41 86% 0.641 PF00069 C1_S1102 - (36)20 4 / 39 / 17 18 339 -0.54
127TSSK1_HUMAN39 39% 0.555 PF00069 C1_S1113 - (18)20 - / 22 / 14 21 172 -0.25
128TAOK1_HUMAN37 89% 0.589 PF00069 C1_S1113 - (22)20 2 / 10 / 21 11 412 -0.44
129ROCK1_HUMAN36 100% 0.574 PF08912 C2_S142 - (0)20 - / 12 / 24 18 1416 -0.45
130MAPK3_HUMAN35 100% 0.614 PF00069 C1_S185 - (18)20 - / 20 / 16 15 102 -0.03
131MAPK2_HUMAN34 100% 0.672 PF00069 C1_S187 - (19)20 - / 21 / 16 14 297 -0.28
132MAPK5_HUMAN34 46% 0.557 PF00069 C2_S185 - (17)20 - / 25 / 11 14 104 -0.30
133MK13_HUMAN32 100% 0.604 PF00069 C1_S193 - (7)17 8 / 21 / 9 27 114 -0.11
134MKNK2_HUMAN31 100% 0.528 PF00069 C1_S181 - (17)20 - / 9 / 18 6 225 -0.18
135KKCC2_HUMAN29 100% 0.518 PF00069 C1_S188 - (14)20 - / 15 / 12 14 25 -0.16
136IKKE_HUMAN29 72% 0.502 PF00069 C2_S175 - (17)19 - / 17 / 9 12 228 -0.70
137STK33_HUMAN29 39% 0.583 PF00069 C1_S199 - (28)20 - / 12 / 14 7 2 -1.00
138ACVR1_HUMAN27 99% 0.501 PF08515 C1_S161 - (4)20 1 / 24 / 4 14 423 -0.44
139NEK4_HUMAN26 50% 0.684 PF00069 C1_S1119 - (24)20 1 / 17 / 10 21 523 -0.10
140KC1G3_HUMAN25 100% 0.505 PF00069 C1_S150 - (6)19 - / 15 / 14 13 447 -0.06
141KC1G2_HUMAN25 89% 0.514 PF00069 C1_S148 - (5)19 - / 15 / 15 13 657 -0.03
142KC1G1_HUMAN25 89% 0.535 PF00069 C1_S157 - (8)19 - / 15 / 15 13 551 0.10
143KC1A_HUMAN25 76% 0.567 PF00069 C1_S147 - (7)20 - / 21 / 10 14 741 -0.46
144KC1D_HUMAN25 100% 0.812 PF00069 C1_S147 - (5)18 - / 18 / 11 14 893 -0.20
145KPCD_HUMAN24 72% 0.606 PF00433 C3_S141 - (8)12 - / 21 / 4 14 149 -0.30
146IKKA_HUMAN24 54% 0.632 PF00069 C1_S183 - (14)19 - / 2 / 20 10 74 -0.33
147TYK2_HUMAN24 100% 0.567 PF00017 C2_S1113 - (5)11 3 / 19 / 6 23 90 -0.28
148NEK2_HUMAN21 100% 0.590 PF00069 C1_S1126 - (12)20 1 / 16 / 3 16 612 -0.30
149BMX_HUMAN20 98% 0.573 PF00018 C1_S1134 - (6)20 7 / 10 / 2 ---
150DYR1A_HUMAN20 34% 0.448 PF00069 C1_S143 - (12)20 - / 8 / 12 10 1117 -0.33

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