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)
50SRMS_HUMAN104 100% 0.603 PF00018 C3_S1128 - (7)20 31 / 51 / 20 38 134 -0.44
51RON_HUMAN70 100% 0.628 PF00018 C2_S1130 - (9)20 21 / 19 / 31 38 424 -0.55
52PIM1_HUMAN62 100% 0.608 PF00069 C1_S192 - (18)20 - / 30 / 32 37 1640 -0.15
53PLK4_HUMAN61 99% 0.539 PF00069 C2_S1114 - (14)20 3 / 30 / 25 37 875 -0.36
54KCC1A_HUMAN92 100% 0.599 PF00069 C1_S1133 - (34)20 - / 45 / 51 37 190 -0.24
55PDPK1_HUMAN57 100% 0.540 PF00069 C2_S192 - (16)20 4 / 38 / 13 37 440 -0.18
56FAK1_HUMAN97 100% 0.651 PF00018 C2_S1158 - (17)20 33 / 80 / 34 37 517 -0.45
57NTRK3_HUMAN85 100% 0.613 PF00018 C5_S1193 - (16)20 19 / 47 / 21 36 721 -0.55
58VGFR2_HUMAN88 100% 0.709 PF07714 C4_S1192 - (13)20 27 / 38 / 26 36 1458 -0.62
59STK3_HUMAN77 91% 0.554 PF00069 C4_S1133 - (47)20 9 / 44 / 28 36 828 -0.17
60IGF1R_HUMAN67 100% 0.823 PF07714 C2_S1108 - (13)20 7 / 37 / 19 36 267 -0.64
61FAK2_HUMAN98 100% 0.658 PF00018 C2_S1125 - (15)20 40 / 39 / 16 35 154 -0.01
62VGFR1_HUMAN93 100% 0.651 PF07714 C5_S1198 - (16)20 26 / 37 / 31 35 959 -0.67
63FER_HUMAN102 100% 0.637 PF00018 C2_S1163 - (13)20 41 / 45 / 16 35 387 -0.19
64VGFR3_HUMAN95 100% 0.566 PF07714 C5_S1174 - (13)20 27 / 38 / 29 34 956 -0.47
65HIPK4_HUMAN49 33% 0.453 PF00069 C1_S1128 - (9)20 - / 10 / 46 34 814 -0.01
66ABL1_HUMAN104 100% 0.834 PF00018 C2_S1170 - (15)20 58 / 29 / 15 34 677 -0.60
67ALK_HUMAN68 100% 0.551 PF07714 C1_S1114 - (18)20 8 / 36 / 20 34 713 -0.40
68AKT3_HUMAN71 86% 0.566 PF00433 C1_S192 - (23)20 4 / 42 / 21 34 382 -0.44
69MARK3_HUMAN68 99% 0.562 PF00069 C2_S1106 - (15)20 - / 23 / 47 33 754 -0.27
70CSF1R_HUMAN87 94% 0.582 PF07714 C6_S1110 - (19)20 20 / 40 / 25 33 352 -0.62
71KIT_HUMAN96 100% 0.579 PF07714 C5_S1168 - (13)20 23 / 39 / 31 32 406 -0.31
72ROS1_HUMAN83 100% 0.592 PF07714 C2_S1136 - (18)20 3 / 33 / 44 32 329 -0.22
73JAK3_HUMAN76 100% 0.573 PF07714 C1_S1128 - (18)20 13 / 34 / 23 32 700 -0.32
74MARK2_HUMAN71 100% 0.570 PF00069 C1_S1108 - (10)20 - / 13 / 57 31 735 -0.28
75GSK3B_HUMAN44 100% 0.841 PF00069 C1_S175 - (7)20 - / 10 / 31 31 1824 -0.23
76ERBB2_HUMAN66 100% 0.571 PF01030 C3_S1118 - (13)20 25 / 42 / 19 31 187 -0.44
77MATK_HUMAN100 100% 0.649 PF00018 C2_S1136 - (14)20 35 / 45 / 18 31 132 -0.14
78CSK21_HUMAN82 100% 0.808 PF00069 C1_S1126 - (20)20 2 / 29 / 39 30 639 -0.10
79SGK1_HUMAN54 99% 0.561 PF00433 C1_S186 - (14)20 2 / 37 / 18 30 731 -0.29
80KPCI_HUMAN47 99% 0.645 PF00433 C2_S165 - (15)20 - / 20 / 29 30 124 -0.25
81FGFR1_HUMAN82 99% 0.598 PF07714 C3_S1102 - (31)10 11 / 33 / 36 30 351 -0.46
82PKN2_HUMAN50 51% 0.633 PF00433 C2_S179 - (22)20 1 / 39 / 14 29 826 -0.37
83PTK6_HUMAN64 100% 0.531 PF00018 C3_S196 - (5)20 13 / 37 / 13 29 140 -0.26
84KPCZ_HUMAN60 85% 0.647 PF00433 C2_S185 - (22)20 - / 21 / 40 29 164 -0.23
85KPCT_HUMAN56 100% 0.625 PF00433 C1_S177 - (20)20 1 / 39 / 20 27 342 -0.50
86KCC1D_HUMAN80 84% 0.633 PF00069 C1_S1115 - (41)20 - / 37 / 47 27 231 -0.62
87LYN_HUMAN106 100% 0.612 PF00018 C3_S1188 - (7)20 37 / 48 / 18 27 623 -0.52
88FES_HUMAN86 100% 0.588 PF00018 C1_S1145 - (14)20 31 / 40 / 12 27 192 0.05
89JAK2_HUMAN93 100% 0.554 PF00018 C2_S1166 - (12)20 37 / 45 / 10 27 732 -0.35
90MK13_HUMAN32 100% 0.604 PF00069 C1_S193 - (7)17 8 / 21 / 9 27 114 -0.11
91ACK1_HUMAN68 100% 0.572 PF00018 C3_S1138 - (20)20 13 / 30 / 22 27 324 -0.62
92LTK_HUMAN62 100% 0.530 PF07714 C1_S1165 - (21)20 8 / 32 / 17 27 527 -0.63
93KPCG_HUMAN57 75% 0.535 PF00433 C1_S181 - (27)20 - / 38 / 24 27 467 -0.33
94GRK5_HUMAN54 72% 0.572 PF00433 C1_S185 - (28)20 - / 31 / 20 26 342 -0.63
95SIK2_HUMAN59 54% 0.522 PF00069 C1_S192 - (20)20 2 / 24 / 35 26 59 0.18
96EGFR_HUMAN65 100% 0.520 PF01030 C3_S1129 - (13)20 22 / 44 / 24 26 350 -0.16
97HCK_HUMAN104 100% 0.814 PF00018 C4_S1122 - (7)20 37 / 46 / 18 26 55 -0.18
98KS6B1_HUMAN50 100% 0.601 PF00433 C1_S183 - (13)20 2 / 29 / 20 24 1030 -0.12
99BRAF_HUMAN47 100% 0.570 PF00018 C2_S1106 - (6)18 16 / 27 / 4 24 14 -
100KS6A5_HUMAN41 100% 0.598 PF00433 C1_S153 - (10)20 2 / 29 / 10 24 351 -0.41

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