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)
100KS6A4_HUMAN87 69% 0.584 PF00069 C1_S1103 - (23)20 7 / 52 / 30 49 53 0.06
101DYR1B_HUMAN51 35% 0.507 PF00069 C1_S181 - (16)20 - / 25 / 23 18 605 -0.55
102MARK3_HUMAN68 99% 0.562 PF00069 C2_S1106 - (15)20 - / 23 / 47 33 754 -0.27
103IKKA_HUMAN24 54% 0.632 PF00069 C1_S183 - (14)19 - / 2 / 20 10 74 -0.33
104BRSK1_HUMAN70 50% 0.620 PF00069 C3_S1106 - (38)20 - / 22 / 49 23 618 -0.08
105ST17A_HUMAN46 60% 0.514 PF00069 C1_S1101 - (33)20 - / 15 / 30 13 598 -0.27
106MAPK3_HUMAN35 100% 0.614 PF00069 C1_S185 - (18)20 - / 20 / 16 15 102 -0.03
107MARK4_HUMAN75 86% 0.590 PF00069 C3_S1108 - (14)20 1 / 29 / 48 47 44 -0.53
108PLK3_HUMAN18 53% 0.605 PF00069 C1_S1130 - (15)20 7 / 8 / 5 14 541 -0.26
109MKNK2_HUMAN31 100% 0.528 PF00069 C1_S181 - (17)20 - / 9 / 18 6 225 -0.18
110SIK2_HUMAN59 54% 0.522 PF00069 C1_S192 - (20)20 2 / 24 / 35 26 59 0.18
111TAOK1_HUMAN37 89% 0.589 PF00069 C1_S1113 - (22)20 2 / 10 / 21 11 412 -0.44
112DCLK1_HUMAN69 46% 0.548 PF00069 C1_S1107 - (41)20 - / 14 / 54 16 87 -0.20
113MARK2_HUMAN71 100% 0.570 PF00069 C1_S1108 - (10)20 - / 13 / 57 31 735 -0.28
114MELK_HUMAN72 99% 0.562 PF00069 C1_S1116 - (16)20 - / 19 / 53 39 596 -0.10
115AURKA_HUMAN89 100% 0.576 PF00069 C1_S1112 - (16)20 12 / 61 / 17 57 1179 -0.38
116IKKB_HUMAN10 99% 0.493 PF00069 C3_S1101 - (24)11 - / 3 / 7 5 18 -0.65
117MP2K1_HUMAN42 100% 0.588 PF00069 C1_S1140 - (38)20 6 / 37 / 18 15 403 -0.21
118TBK1_HUMAN41 99% 0.592 PF00069 C2_S190 - (28)20 1 / 14 / 23 11 182 -0.62
119KCC1D_HUMAN80 84% 0.633 PF00069 C1_S1115 - (41)20 - / 37 / 47 27 231 -0.62
120PIM2_HUMAN74 100% 0.549 PF00069 C1_S1110 - (16)20 - / 40 / 32 39 279 -0.18
121CHK1_HUMAN72 100% 0.518 PF00069 C1_S1105 - (7)20 3 / 46 / 23 67 236 -0.23
122GSK3B_HUMAN44 100% 0.841 PF00069 C1_S175 - (7)20 - / 10 / 31 31 1824 -0.23
123PRKX_HUMAN93 53% 0.530 PF00069 C1_S1116 - (28)20 6 / 52 / 34 50 785 -0.47
124PIM1_HUMAN62 100% 0.608 PF00069 C1_S192 - (18)20 - / 30 / 32 37 1640 -0.15
125DAPK3_HUMAN61 99% 0.605 PF00069 C1_S1101 - (38)20 1 / 17 / 41 15 778 -0.48
126AURKB_HUMAN91 99% 0.579 PF00069 C1_S1109 - (12)20 12 / 57 / 22 62 1649 -0.43
127MAPK5_HUMAN34 46% 0.557 PF00069 C2_S185 - (17)20 - / 25 / 11 14 104 -0.30
128NLK_HUMAN14 47% 0.586 PF00069 C1_S188 - (17)10 2 / 15 / 6 12 7 -0.15
129MK01_HUMAN78 100% 0.804 PF00069 C1_S1100 - (22)20 2 / 29 / 44 47 463 -0.05
130MK10_HUMAN84 100% 0.535 PF00069 C2_S1101 - (8)20 17 / 46 / 18 46 73 -0.15
131KS6A3_HUMAN7 100% 0.610 PF00433 C2_S115 - (0)6 - / 2 / 5 4 149 -0.50
132KS6B1_HUMAN50 100% 0.601 PF00433 C1_S183 - (13)20 2 / 29 / 20 24 1030 -0.12
133GRK5_HUMAN54 72% 0.572 PF00433 C1_S185 - (28)20 - / 31 / 20 26 342 -0.63
134KS6A5_HUMAN41 100% 0.598 PF00433 C1_S153 - (10)20 2 / 29 / 10 24 351 -0.41
135KPCD_HUMAN24 72% 0.606 PF00433 C3_S141 - (8)12 - / 21 / 4 14 149 -0.30
136KPCT_HUMAN56 100% 0.625 PF00433 C1_S177 - (20)20 1 / 39 / 20 27 342 -0.50
137PKN2_HUMAN50 51% 0.633 PF00433 C2_S179 - (22)20 1 / 39 / 14 29 826 -0.37
138KPCI_HUMAN47 99% 0.645 PF00433 C2_S165 - (15)20 - / 20 / 29 30 124 -0.25
139SGK1_HUMAN54 99% 0.561 PF00433 C1_S186 - (14)20 2 / 37 / 18 30 731 -0.29
140KPCG_HUMAN57 75% 0.535 PF00433 C1_S181 - (27)20 - / 38 / 24 27 467 -0.33
141KPCZ_HUMAN60 85% 0.647 PF00433 C2_S185 - (22)20 - / 21 / 40 29 164 -0.23
142AKT3_HUMAN71 86% 0.566 PF00433 C1_S192 - (23)20 4 / 42 / 21 34 382 -0.44
143EF2K_HUMAN8 41% 0.370 PF00520 C7_S116 - (16)6 - / 7 / 2 4 31 -0.09
144KSYK_HUMAN98 100% 0.528 PF01030 C2_S1165 - (20)20 19 / 45 / 32 41 349 -0.13
145ERBB2_HUMAN66 100% 0.571 PF01030 C3_S1118 - (13)20 25 / 42 / 19 31 187 -0.44
146EGFR_HUMAN65 100% 0.520 PF01030 C3_S1129 - (13)20 22 / 44 / 24 26 350 -0.16
147ERBB4_HUMAN71 100% 0.589 PF01030 C5_S191 - (14)20 8 / 7 / 4 13 227 -0.37
148FLT3L_HUMAN5 99% 0.611 PF02947 2 - (0)0 - / - / - ---
149LRRK2_HUMAN17 32% 0.485 PF07714 C2_S121 - (2)1 - / 1 / - ---
150JAK3_HUMAN76 100% 0.573 PF07714 C1_S1128 - (18)20 13 / 34 / 23 32 700 -0.32

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