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)
50AURKA_HUMAN89 100% 0.576 PF00069 C1_S1112 - (16)20 12 / 61 / 17 57 1179 -0.38
51ERBB4_HUMAN71 100% 0.589 PF01030 C5_S191 - (14)20 8 / 7 / 4 13 227 -0.37
52DCLK1_HUMAN69 46% 0.548 PF00069 C1_S1107 - (41)20 - / 14 / 54 16 87 -0.20
53STK3_HUMAN77 91% 0.554 PF00069 C4_S1133 - (47)20 9 / 44 / 28 36 828 -0.17
54FAK1_HUMAN97 100% 0.651 PF00018 C2_S1158 - (17)20 33 / 80 / 34 37 517 -0.45
55JAK2_HUMAN93 100% 0.554 PF00018 C2_S1166 - (12)20 37 / 45 / 10 27 732 -0.35
56FGFR3_HUMAN20 98% 0.606 PF07714 C3_S1116 - (32)20 2 / 12 / 5 ---
57HIPK4_HUMAN49 33% 0.453 PF00069 C1_S1128 - (9)20 - / 10 / 46 34 814 -0.01
58MKNK2_HUMAN31 100% 0.528 PF00069 C1_S181 - (17)20 - / 9 / 18 6 225 -0.18
59KS6B1_HUMAN50 100% 0.601 PF00433 C1_S183 - (13)20 2 / 29 / 20 24 1030 -0.12
60BTK_HUMAN93 100% 0.711 PF00018 C1_S1231 - (5)20 53 / 88 / 15 44 438 -0.40
61SLK_HUMAN50 98% 0.526 PF00069 C1_S1134 - (51)20 2 / 25 / 36 17 602 -0.22
62MARK2_HUMAN71 100% 0.570 PF00069 C1_S1108 - (10)20 - / 13 / 57 31 735 -0.28
63TYRO3_HUMAN96 100% 0.542 PF00018 C4_S1150 - (9)20 44 / 34 / 19 57 523 -0.62
64DYR1B_HUMAN51 35% 0.507 PF00069 C1_S181 - (16)20 - / 25 / 23 18 605 -0.55
65KCC1A_HUMAN92 100% 0.599 PF00069 C1_S1133 - (34)20 - / 45 / 51 37 190 -0.24
66TAOK1_HUMAN37 89% 0.589 PF00069 C1_S1113 - (22)20 2 / 10 / 21 11 412 -0.44
67M4K5_HUMAN48 48% 0.524 PF00069 C2_S1104 - (30)20 1 / 28 / 21 17 558 -0.35
68PLK4_HUMAN61 99% 0.539 PF00069 C2_S1114 - (14)20 3 / 30 / 25 37 875 -0.36
69FAK2_HUMAN98 100% 0.658 PF00018 C2_S1125 - (15)20 40 / 39 / 16 35 154 -0.01
70ALK_HUMAN68 100% 0.551 PF07714 C1_S1114 - (18)20 8 / 36 / 20 34 713 -0.40
71SIK2_HUMAN59 54% 0.522 PF00069 C1_S192 - (20)20 2 / 24 / 35 26 59 0.18
72FER_HUMAN102 100% 0.637 PF00018 C2_S1163 - (13)20 41 / 45 / 16 35 387 -0.19
73ACVR1_HUMAN27 99% 0.501 PF08515 C1_S161 - (4)20 1 / 24 / 4 14 423 -0.44
74LCK_HUMAN104 100% 0.761 PF00018 C3_S1226 - (5)20 36 / 49 / 15 46 974 -0.56
75KCC2G_HUMAN58 99% 0.547 PF00069 C2_S1100 - (30)20 - / 14 / 45 16 578 -0.14
76AKT2_HUMAN100 100% 0.585 PF00069 C1_S1127 - (32)20 8 / 66 / 27 49 342 -0.21
77KS6A5_HUMAN41 100% 0.598 PF00433 C1_S153 - (10)20 2 / 29 / 10 24 351 -0.41
78LTK_HUMAN62 100% 0.530 PF07714 C1_S1165 - (21)20 8 / 32 / 17 27 527 -0.63
79KCC2D_HUMAN56 99% 0.559 PF00069 C1_S1100 - (30)20 - / 14 / 43 15 641 -0.16
80BRSK1_HUMAN70 50% 0.620 PF00069 C3_S1106 - (38)20 - / 22 / 49 23 618 -0.08
81MARK3_HUMAN68 99% 0.562 PF00069 C2_S1106 - (15)20 - / 23 / 47 33 754 -0.27
82NEK4_HUMAN26 50% 0.684 PF00069 C1_S1119 - (24)20 1 / 17 / 10 21 523 -0.10
83IRAK1_HUMAN43 38% 0.501 PF00069 C2_S199 - (10)20 2 / 22 / 23 17 606 -0.07
84ITK_HUMAN88 100% 0.662 PF00018 C5_S1159 - (6)20 14 / 51 / 23 40 351 -0.21
85PGFRB_HUMAN89 100% 0.553 PF07714 C6_S1135 - (5)20 3 / 14 / 65 8 145 -0.60
86ST17A_HUMAN46 60% 0.514 PF00069 C1_S1101 - (33)20 - / 15 / 30 13 598 -0.27
87CDK7_HUMAN90 100% 0.765 PF00069 C1_S1121 - (13)20 2 / 30 / 53 53 612 -0.59
88CSF1R_HUMAN87 94% 0.582 PF07714 C6_S1110 - (19)20 20 / 40 / 25 33 352 -0.62
89CDK1_HUMAN100 66% 0.599 PF00069 C1_S1121 - (10)20 - / 39 / 57 47 798 -0.28
90MET_HUMAN87 100% 0.609 PF00018 C2_S1163 - (9)20 41 / 25 / 21 49 557 -0.21
91AURKB_HUMAN91 99% 0.579 PF00069 C1_S1109 - (12)20 12 / 57 / 22 62 1649 -0.43
92UFO_HUMAN98 100% 0.592 PF00018 C5_S1166 - (8)20 48 / 37 / 16 55 470 -0.56
93KS6A4_HUMAN87 69% 0.584 PF00069 C1_S1103 - (23)20 7 / 52 / 30 49 53 0.06
94ROS1_HUMAN83 100% 0.592 PF07714 C2_S1136 - (18)20 3 / 33 / 44 32 329 -0.22
95FRK_HUMAN53 100% 0.598 PF00018 C1_S1124 - (5)20 17 / 23 / 11 21 560 -0.43
96MAPK5_HUMAN34 46% 0.557 PF00069 C2_S185 - (17)20 - / 25 / 11 14 104 -0.30
97SRC_HUMAN100 100% 0.825 PF00018 C4_S1119 - (4)20 39 / 45 / 14 51 439 -0.23
98MLTK_HUMAN54 100% 0.526 PF00018 C2_S1132 - (12)20 8 / 33 / 13 21 381 -0.15
99IGF1R_HUMAN67 100% 0.823 PF07714 C2_S1108 - (13)20 7 / 37 / 19 36 267 -0.64
100BMX_HUMAN20 98% 0.573 PF00018 C1_S1134 - (6)20 7 / 10 / 2 ---

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