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]
100EPHA7_HUMAN79 100% 0.648 PF00018 C2_S191 - (18)20 6 / 35 / 38 37
101IRAK4_HUMAN95 100% 0.488 PF07714 C2_S1110 - (0)20 4 / 42 / 48 25
102MK12_HUMAN95 100% 0.561 PF00069 C1_S1116 - (9)19 20 / 49 / 29 32
103EGFR_HUMAN68 100% 0.507 PF01030 C2_S172 - (19)20 18 / 27 / 22 29
104MRCKB_HUMAN72 100% 0.552 PF08912 C2_S183 - (9)20 - / 29 / 46 34
105VGFR1_HUMAN88 100% 0.562 PF07714 C6_S193 - (22)20 31 / 31 / 26 37
106MK07_HUMAN75 100% 0.603 PF00069 C1_S187 - (18)20 4 / 35 / 35 37
107PDK1_HUMAN34 100% 0.559 PF02518 C2_S146 - (38)14 2 / 20 / 14 5
108M3K5_HUMAN68 100% 0.505 PF00069 C1_S194 - (16)15 6 / 29 / 34 21
109LCK_HUMAN101 100% 0.692 PF00018 C3_S1112 - (6)20 32 / 53 / 17 53
110AKT1_HUMAN107 100% 0.511 PF00433 C1_S1133 - (20)20 6 / 79 / 21 53
111CSK22_HUMAN94 100% 0.734 PF00069 C1_S1122 - (22)20 2 / 41 / 47 39
112PLK4_HUMAN80 100% 0.501 PF00069 C2_S1116 - (17)20 5 / 38 / 36 51
113ERBB4_HUMAN66 100% 0.574 PF01030 C5_S170 - (19)20 14 / 28 / 22 28
114CDK8_HUMAN104 100% 0.559 PF00069 C1_S1142 - (6)20 3 / 20 / 88 85
115PDPK1_HUMAN50 100% 0.520 PF00069 C2_S181 - (11)20 5 / 34 / 10 36
116MAPK3_HUMAN33 100% 0.550 PF00069 C1_S172 - (17)18 - / 23 / 11 15
117MARK1_HUMAN38 100% 0.559 PF00069 C2_S199 - (12)19 - / 12 / 23 15
118KC1E_HUMAN56 100% 0.794 PF00069 C1_S178 - (6)20 - / 40 / 19 21
119VGFR2_HUMAN89 100% 0.636 PF07714 C3_S194 - (25)20 31 / 30 / 29 34
120ABL2_HUMAN96 100% 0.861 PF00018 C4_S1101 - (11)20 52 / 35 / 9 29
121KKCC2_HUMAN52 100% 0.454 PF00069 C1_S191 - (17)20 - / 16 / 35 23
122TAF1_HUMAN4 100% 0.798 PF00439 112 - (0)2 - / - / - 0
123EPHA2_HUMAN88 100% 0.608 PF00018 C2_S195 - (21)20 16 / 44 / 28 37
124STK26_HUMAN97 100% 0.552 PF00069 C1_S1125 - (31)20 5 / 47 / 53 39
125FGFR4_HUMAN72 100% 0.619 PF07714 C3_S180 - (28)20 10 / 21 / 38 19
126HCK_HUMAN99 100% 0.808 PF00018 C3_S1110 - (6)20 32 / 51 / 17 32
127ST17B_HUMAN45 100% 0.546 PF00069 C1_S1101 - (29)20 - / 13 / 27 13
128PLK1_HUMAN71 100% 0.540 PF00069 C2_S1101 - (14)20 7 / 28 / 37 33
129CHK2_HUMAN71 100% 0.562 PF00069 C1_S1119 - (25)20 1 / 22 / 47 35
130GSK3B_HUMAN82 100% 0.848 PF00069 C1_S1109 - (17)20 3 / 29 / 47 36
131BMR1B_HUMAN45 100% 0.486 PF08515 C1_S161 - (2)20 3 / 31 / 12 19
132KSYK_HUMAN107 100% 0.528 PF07714 C3_S1126 - (19)20 10 / 57 / 40 44
133PK3CA_HUMAN7 100% 0.529 PF00613 C3_S113 - (1)11 - / 5 / 4 6
134PDK4_HUMAN21 100% 0.585 PF02518 C2_S136 - (26)13 2 / 13 / 9 5
135MKNK2_HUMAN30 100% 0.518 PF00069 C1_S180 - (16)20 - / 9 / 19 10
136MAPK2_HUMAN38 100% 0.483 PF00069 C1_S173 - (17)20 - / 25 / 13 12
137FAK2_HUMAN93 100% 0.518 PF00018 C2_S199 - (15)20 31 / 36 / 27 39
138CDK4_HUMAN74 100% 0.527 PF00069 C1_S192 - (6)20 - / 23 / 46 38
139KCC1A_HUMAN63 100% 0.537 PF00069 C1_S1131 - (22)20 - / 31 / 30 27
140AURKA_HUMAN95 100% 0.576 PF00069 C1_S1110 - (20)20 10 / 68 / 16 64
141GRK6_HUMAN71 100% 0.572 PF00615 C1_S191 - (30)20 1 / 42 / 25 1
142RIPK1_HUMAN75 100% 0.521 PF00018 C1_S194 - (6)20 12 / 30 / 30 17
143AAPK2_HUMAN82 100% 0.453 PF00069 C4_S1105 - (14)20 2 / 10 / 8 5
144EPHA5_HUMAN77 99% 0.645 PF00018 C3_S184 - (17)20 15 / 37 / 22 35
145MK11_HUMAN87 99% 0.524 PF00069 C1_S1101 - (7)20 27 / 44 / 17 64
146SGK1_HUMAN62 99% 0.559 PF00433 C1_S178 - (11)20 2 / 48 / 10 37
147E2AK2_HUMAN35 99% 0.436 PF00069 C2_S157 - (12)20 10 / 14 / 10 25
148VRK2_HUMAN35 99% 0.634 PF00069 C1_S168 - (5)20 - / 33 / 7 12
149EPHB2_HUMAN70 99% 0.622 PF00018 C3_S179 - (16)20 13 / 39 / 17 35
150CSK23_HUMAN89 99% 0.785 PF00069 C1_S1122 - (21)20 3 / 39 / 44 39

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