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)
50FGFR3_HUMAN20 98% 0.606 PF07714 C3_S1116 - (32)20 2 / 12 / 5 ---
51PAK4_HUMAN17 100% 0.606 PF00069 C1_S182 - (22)15 - / 5 / 12 8 218 -0.23
52PLK3_HUMAN18 53% 0.605 PF00069 C1_S1130 - (15)20 7 / 8 / 5 14 541 -0.26
53DAPK3_HUMAN61 99% 0.605 PF00069 C1_S1101 - (38)20 1 / 17 / 41 15 778 -0.48
54MK13_HUMAN32 100% 0.604 PF00069 C1_S193 - (7)17 8 / 21 / 9 27 114 -0.11
55SRMS_HUMAN104 100% 0.603 PF00018 C3_S1128 - (7)20 31 / 51 / 20 38 134 -0.44
56KS6B1_HUMAN50 100% 0.601 PF00433 C1_S183 - (13)20 2 / 29 / 20 24 1030 -0.12
57CDK1_HUMAN100 66% 0.599 PF00069 C1_S1121 - (10)20 - / 39 / 57 47 798 -0.28
58KCC1A_HUMAN92 100% 0.599 PF00069 C1_S1133 - (34)20 - / 45 / 51 37 190 -0.24
59FGFR1_HUMAN82 99% 0.598 PF07714 C3_S1102 - (31)10 11 / 33 / 36 30 351 -0.46
60FRK_HUMAN53 100% 0.598 PF00018 C1_S1124 - (5)20 17 / 23 / 11 21 560 -0.43
61KS6A5_HUMAN41 100% 0.598 PF00433 C1_S153 - (10)20 2 / 29 / 10 24 351 -0.41
62MK12_HUMAN44 100% 0.596 PF00069 C1_S1114 - (8)17 10 / 25 / 10 22 106 -0.00
63TBK1_HUMAN41 99% 0.592 PF00069 C2_S190 - (28)20 1 / 14 / 23 11 182 -0.62
64ROS1_HUMAN83 100% 0.592 PF07714 C2_S1136 - (18)20 3 / 33 / 44 32 329 -0.22
65NTRK2_HUMAN86 100% 0.592 PF07714 C2_S1222 - (18)20 11 / 49 / 26 40 685 -0.47
66PLK1_HUMAN14 100% 0.592 PF00069 C2_S198 - (12)15 4 / 9 / 5 11 287 -0.29
67UFO_HUMAN98 100% 0.592 PF00018 C5_S1166 - (8)20 48 / 37 / 16 55 470 -0.56
68NEK2_HUMAN21 100% 0.590 PF00069 C1_S1126 - (12)20 1 / 16 / 3 16 612 -0.30
69MARK4_HUMAN75 86% 0.590 PF00069 C3_S1108 - (14)20 1 / 29 / 48 47 44 -0.53
70ERBB4_HUMAN71 100% 0.589 PF01030 C5_S191 - (14)20 8 / 7 / 4 13 227 -0.37
71TAOK1_HUMAN37 89% 0.589 PF00069 C1_S1113 - (22)20 2 / 10 / 21 11 412 -0.44
72MP2K1_HUMAN42 100% 0.588 PF00069 C1_S1140 - (38)20 6 / 37 / 18 15 403 -0.21
73FES_HUMAN86 100% 0.588 PF00018 C1_S1145 - (14)20 31 / 40 / 12 27 192 0.05
74PGFRA_HUMAN95 100% 0.588 PF07714 C2_S1128 - (12)20 3 / 16 / 68 15 300 -0.56
75MRCKA_HUMAN43 99% 0.588 PF08912 C3_S161 - (10)20 - / 16 / 26 19 597 -0.21
76CDK8_HUMAN102 100% 0.587 PF00069 C1_S1142 - (8)20 3 / 19 / 84 83 727 -0.34
77NLK_HUMAN14 47% 0.586 PF00069 C1_S188 - (17)10 2 / 15 / 6 12 7 -0.15
78AKT2_HUMAN100 100% 0.585 PF00069 C1_S1127 - (32)20 8 / 66 / 27 49 342 -0.21
79ROCK2_HUMAN44 98% 0.585 PF08912 C3_S170 - (11)20 - / 18 / 27 22 1233 -0.30
80PAK1_HUMAN46 100% 0.584 PF00069 C1_S1121 - (35)20 - / 20 / 27 14 162 -0.03
81KS6A4_HUMAN87 69% 0.584 PF00069 C1_S1103 - (23)20 7 / 52 / 30 49 53 0.06
82STK33_HUMAN29 39% 0.583 PF00069 C1_S199 - (28)20 - / 12 / 14 7 2 -1.00
83KGP1_HUMAN87 45% 0.582 PF00069 C3_S1108 - (29)20 6 / 50 / 32 50 397 -0.36
84CSF1R_HUMAN87 94% 0.582 PF07714 C6_S1110 - (19)20 20 / 40 / 25 33 352 -0.62
85SRPK1_HUMAN15 100% 0.582 PF00069 C1_S115 - (0)1 - / - / 1 ---
86NTRK1_HUMAN91 100% 0.582 PF07714 C3_S1211 - (16)20 12 / 51 / 26 41 669 -0.43
87AURKB_HUMAN91 99% 0.579 PF00069 C1_S1109 - (12)20 12 / 57 / 22 62 1649 -0.43
88KIT_HUMAN96 100% 0.579 PF07714 C5_S1168 - (13)20 23 / 39 / 31 32 406 -0.31
89AURKA_HUMAN89 100% 0.576 PF00069 C1_S1112 - (16)20 12 / 61 / 17 57 1179 -0.38
90ROCK1_HUMAN36 100% 0.574 PF08912 C2_S142 - (0)20 - / 12 / 24 18 1416 -0.45
91BMX_HUMAN20 98% 0.573 PF00018 C1_S1134 - (6)20 7 / 10 / 2 ---
92JAK3_HUMAN76 100% 0.573 PF07714 C1_S1128 - (18)20 13 / 34 / 23 32 700 -0.32
93ACK1_HUMAN68 100% 0.572 PF00018 C3_S1138 - (20)20 13 / 30 / 22 27 324 -0.62
94GRK5_HUMAN54 72% 0.572 PF00433 C1_S185 - (28)20 - / 31 / 20 26 342 -0.63
95KPCD3_HUMAN43 39% 0.571 PF00069 C1_S1120 - (40)20 - / 13 / 29 13 874 -0.39
96ERBB2_HUMAN66 100% 0.571 PF01030 C3_S1118 - (13)20 25 / 42 / 19 31 187 -0.44
97MARK2_HUMAN71 100% 0.570 PF00069 C1_S1108 - (10)20 - / 13 / 57 31 735 -0.28
98BRAF_HUMAN47 100% 0.570 PF00018 C2_S1106 - (6)18 16 / 27 / 4 24 14 -
99MINK1_HUMAN46 89% 0.569 PF00069 C1_S1109 - (32)20 2 / 19 / 23 16 667 -0.28
100KC1A_HUMAN25 76% 0.567 PF00069 C1_S147 - (7)20 - / 21 / 10 14 741 -0.46

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