Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
KINOME_2015 (Oct 2015)

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


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
50MERTK_HUMAN110 100% 0.587 PF00018 C1_S1131 - (7)20 51 / 45 / 15 68
51PDK4_HUMAN21 100% 0.585 PF02518 C2_S136 - (26)13 2 / 13 / 9 5
52PAK1_HUMAN96 100% 0.556 PF00069 C1_S1121 - (27)20 5 / 49 / 44 31
53KS6B1_HUMAN58 100% 0.585 PF00433 C1_S178 - (11)20 2 / 44 / 14 32
54AKT1_HUMAN107 100% 0.511 PF00433 C1_S1133 - (20)20 6 / 79 / 21 53
55CLK3_HUMAN20 100% 0.469 PF00069 C1_S134 - (11)19 - / 14 / 9 10
56AVR2A_HUMAN37 100% 0.529 PF08515 C2_S197 - (0)20 1 / 27 / 10 17
57TIE2_HUMAN101 100% 0.504 PF07714 C1_S1139 - (20)20 13 / 28 / 60 46
58KS6A5_HUMAN47 100% 0.534 PF00433 C1_S148 - (6)20 3 / 36 / 8 28
59M3K8_HUMAN35 100% 0.517 PF00069 C1_S1114 - (13)20 1 / 18 / 20 12
60CDK5_HUMAN98 100% 0.520 PF00069 C1_S1115 - (7)20 2 / 41 / 50 53
61IRAK4_HUMAN95 100% 0.488 PF07714 C2_S1110 - (0)20 4 / 42 / 48 25
62KCC4_HUMAN78 100% 0.471 PF00069 C2_S1123 - (27)20 1 / 31 / 43 27
63PLK3_HUMAN94 100% 0.530 PF00069 C1_S1135 - (16)20 10 / 32 / 49 48
64PDPK1_HUMAN50 100% 0.520 PF00069 C2_S181 - (11)20 5 / 34 / 10 36
65KSYK_HUMAN107 100% 0.528 PF07714 C3_S1126 - (19)20 10 / 57 / 40 44
66ERN1_HUMAN6 100% 0.512 PF06479 C1_S118 - (5)7 1 / 3 / 4 4
67HCK_HUMAN99 100% 0.808 PF00018 C3_S1110 - (6)20 32 / 51 / 17 32
68PK3CA_HUMAN7 100% 0.529 PF00613 C3_S113 - (1)11 - / 5 / 4 6
69AAPK2_HUMAN82 100% 0.453 PF00069 C4_S1105 - (14)20 2 / 10 / 8 5
70KCC1A_HUMAN63 100% 0.537 PF00069 C1_S1131 - (22)20 - / 31 / 30 27
71PK3CG_HUMAN14 100% 0.528 PF00613 C2_S114 - (1)14 - / 10 / 4 7
72BMR1B_HUMAN45 100% 0.486 PF08515 C1_S161 - (2)20 3 / 31 / 12 19
73EPHB4_HUMAN79 100% 0.636 PF07714 C1_S188 - (18)20 6 / 32 / 39 36
74EPHA7_HUMAN79 100% 0.648 PF00018 C2_S191 - (18)20 6 / 35 / 38 37
75M4K4_HUMAN87 100% 0.550 PF00069 C2_S1103 - (20)20 1 / 46 / 41 36
76MK10_HUMAN83 100% 0.523 PF00069 C2_S1100 - (10)20 26 / 37 / 20 49
77ROCK2_HUMAN38 100% 0.614 PF08912 C2_S147 - (0)20 - / 12 / 28 18
78VGFR2_HUMAN89 100% 0.636 PF07714 C3_S194 - (25)20 31 / 30 / 29 34
79TGFR1_HUMAN35 100% 0.534 PF08515 C1_S162 - (0)20 1 / 22 / 13 16
80JAK3_HUMAN91 100% 0.515 PF07714 C2_S1108 - (4)20 2 / 65 / 26 44
81ABL1_HUMAN34 100% 0.827 PF00018 C3_S134 - (4)20 23 / 11 / - 12
82MK12_HUMAN95 100% 0.561 PF00069 C1_S1116 - (9)19 20 / 49 / 29 32
83KKCC2_HUMAN52 100% 0.454 PF00069 C1_S191 - (17)20 - / 16 / 35 23
84AAK1_HUMAN6 100% 0.518 PF00069 C1_S126 - (7)17 2 / 2 / 12 6
85ITK_HUMAN111 100% 0.545 PF00018 C4_S1127 - (5)20 14 / 58 / 43 57
86RIPK1_HUMAN75 100% 0.521 PF00018 C1_S194 - (6)20 12 / 30 / 30 17
87PLK1_HUMAN71 100% 0.540 PF00069 C2_S1101 - (14)20 7 / 28 / 37 33
88BRAF_HUMAN79 100% 0.561 PF02196 C2_S1105 - (5)20 27 / 40 / 12 34
89MK03_HUMAN93 100% 0.756 PF00069 C1_S1123 - (26)20 6 / 36 / 51 47
90EPHA2_HUMAN88 100% 0.608 PF00018 C2_S195 - (21)20 16 / 44 / 28 37
91PDK3_HUMAN22 100% 0.613 PF02518 C4_S134 - (25)12 2 / 12 / 10 9
92HASP_HUMAN8 100% 0.518 PF00069 C4_S112 - (6)7 - / 4 / 4 6
93MARK2_HUMAN38 100% 0.542 PF00069 C1_S198 - (11)20 - / 12 / 22 16
94KS6A1_HUMAN49 100% 0.587 PF00433 C3_S157 - (11)20 2 / 39 / 8 26
95WEE1_HUMAN9 100% 0.561 PF00069 C1_S139 - (8)20 6 / 6 / 7 11
96EGFR_HUMAN68 100% 0.507 PF01030 C2_S172 - (19)20 18 / 27 / 22 29
97KSR2_HUMAN66 100% 0.467 PF02196 C3_S170 - (0)20 2 / 39 / 22 25
98LIMK1_HUMAN69 100% 0.503 PF00018 C3_S1121 - (11)20 8 / 33 / 30 19
99VRK1_HUMAN7 100% 0.480 PF00069 C1_S136 - (3)13 - / 11 / 7 5
100SRPK1_HUMAN4 100% 0.582 PF00069 C2_S119 - (5)6 - / 5 / 4 3

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