Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
BDB (Jul 2014)

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)
150PF00069_AAPK2_HUMAN12 100% 0.350 PF00069 C1_S123 - (4)12 1 / 10 / - 7 3 0.82
151PF00069_AAPK2_RAT12 99% 0.371 PF00069 C1_S123 - (4)12 1 / 10 / - 7--
152PF00069_KC1G2_HUMAN18 88% 0.357 PF00069 C1_S140 - (6)19 - / 9 / 13 17 15 0.04
153PF00069_KC1G3_HUMAN16 100% 0.330 PF00069 C1_S138 - (5)17 - / 10 / 11 15 13 -0.25
154PF00069_MST4_HUMAN16 100% 0.365 PF00069 C1_S136 - (11)19 - / 9 / 9 13 13 0.63
155PF00069_MYLK2_HUMAN17 100% 0.237 PF00069 C1_S129 - (12)16 - / 7 / 8 10 11 0.01
156PF00069_MYLK4_HUMAN18 100% 0.346 PF00069 C1_S128 - (11)17 - / 8 / 10 11 9 0.47
157PF00069_MARK1_HUMAN14 100% 0.217 PF00069 C1_S128 - (6)12 3 / 9 / 2 9 12 0.37
158PF00069_MARK2_HUMAN14 100% 0.213 PF00069 C1_S130 - (7)12 3 / 9 / 2 9 11 0.12
159PF00069_M3K14_HUMAN9 100% 0.195 PF00069 C1_S140 - (12)13 2 / 7 / 6 8--
160PF00069_GSK3_DICDI15 68% 0.390 PF00069 C1_S132 - (10)16 - / 7 / 9 12--
161PF00069_NEK6_HUMAN11 81% 0.420 PF00069 C1_S139 - (10)12 - / 6 / 6 9 7 -0.28
162PF00069_STK3_MOUSE20 98% 0.334 PF00069 C2_S138 - (11)20 2 / 12 / 7 14 5 0.57
163PF00069_TBK1_MOUSE14 100% 0.432 PF00069 C1_S139 - (8)12 2 / 9 / 3 7--
164PF00069_VRK2_HUMAN7 99% 0.387 PF00069 C1_S132 - (4)7 - / 7 / 2 6--
165PF00069_AAPK1_HUMAN14 98% 0.339 PF00069 C1_S125 - (3)14 1 / 11 / 2 9 10 0.68
166PF00069_AAPK1_RAT14 99% 0.339 PF00069 C1_S125 - (3)14 1 / 11 / 2 9--
167PF00069_TAOK3_HUMAN18 82% 0.192 PF00069 C1_S128 - (9)16 1 / 7 / 8 9 10 0.46
168PF00069_ST17A_HUMAN18 60% 0.281 PF00069 C1_S131 - (13)18 - / 6 / 11 11 9 -0.20
169PF00069_STK11_HUMAN6 99% 0.303 PF00069 C1_S131 - (7)11 - / 10 / 1 9 9 0.40
170PF00069_STK3_HUMAN20 99% 0.334 PF00069 C1_S137 - (11)20 2 / 12 / 6 14 25 0.24
171PF00069_STK4_HUMAN20 100% 0.333 PF00069 C1_S141 - (11)20 2 / 13 / 6 15 22 0.19
172PF00627_MARK4_HUMAN14 86% 0.222 PF00069 C1_S130 - (6)12 3 / 7 / 4 9--
173PF00069_KCC1D_HUMAN22 84% 0.424 PF00069 C1_S145 - (17)20 - / 10 / 15 10 11 0.12
174PF00069_MARK3_HUMAN12 99% 0.225 PF00069 C1_S129 - (7)10 3 / 7 / 2 7 3 0.67
175PF00069_KCC2A_HUMAN13 99% 0.394 PF00069 C1_S116 - (0)13 - / 6 / 7 7 5 0.09
176PF00069_KCC2A_RAT13 99% 0.394 PF00069 C1_S116 - (0)13 - / 6 / 7 7--
177PF00069_AURKB_MOUSE36 91% 0.399 PF00069 C1_S159 - (11)20 4 / 24 / 9 25--
178PF00069_CDK17_HUMAN22 81% 0.301 PF00069 C1_S132 - (9)20 1 / 10 / 10 14 18 -0.45
179PF00069_MK06_HUMAN11 100% 0.254 PF00069 C1_S129 - (9)12 - / 3 / 8 7--
180PF00069_NEK5_HUMAN21 62% 0.201 PF00069 C1_S144 - (7)20 1 / 12 / 9 17 15 0.06
181PF00069_ST17B_HUMAN15 100% 0.398 PF00069 C1_S131 - (12)15 - / 4 / 10 7 9 0.11
182PF00069_KCC1G_HUMAN21 100% 0.325 PF00069 C1_S142 - (10)20 1 / 10 / 13 12 7 0.55
183PF00069_TAOK1_HUMAN18 89% 0.181 PF00069 C1_S136 - (11)18 2 / 9 / 9 12 13 0.60
184PF00069_NEK1_HUMAN21 100% 0.161 PF00069 C1_S149 - (9)20 1 / 14 / 7 15 10 -0.03
185PF00069_MP2K6_HUMAN18 100% 0.396 PF00069 C1_S151 - (22)20 3 / 24 / 6 14 10 -0.11
186PF00069_PHKG2_HUMAN15 100% 0.362 PF00069 C1_S137 - (13)14 - / 5 / 13 9 15 -0.32
187PF00069_CHK2_HUMAN31 100% 0.547 PF00069 C1_S141 - (9)20 1 / 14 / 15 26 19 0.10
188PF00069_KCC1A_HUMAN23 100% 0.405 PF00069 C1_S144 - (14)20 - / 13 / 13 12 8 -0.10
189PF00069_CLK4_MOUSE11 87% 0.348 PF00069 C1_S137 - (12)15 - / 8 / 8 9--
190PF00069_MK13_HUMAN24 100% 0.538 PF00069 C1_S136 - (6)20 2 / 16 / 6 20 5 -0.20
191PF00069_SRPK1_HUMAN7 100% 0.314 PF00069 C1_S127 - (6)10 - / 5 / 6 6 6 -0.22
192PF00069_CDC2H_PLAF719 100% 0.584 PF00069 C1_S134 - (6)18 1 / 3 / 17 10 3 -0.87
193PF00069_CLK3_HUMAN10 100% 0.335 PF00069 C1_S134 - (13)13 - / 8 / 5 7 10 -0.58
194PF00069_MK04_HUMAN12 73% 0.241 PF00069 C1_S137 - (8)14 - / 3 / 10 7 1 -
195PF00069_MK12_HUMAN24 67% 0.549 PF00069 C1_S137 - (6)20 3 / 16 / 5 19 9 -0.19
196PF00069_MP2K3_HUMAN18 84% 0.474 PF00069 C1_S155 - (23)20 3 / 21 / 8 7 11 -0.27
197PF00069_IKKE_HUMAN13 72% 0.430 PF00069 C1_S134 - (6)12 1 / 10 / 2 6 10 -0.12
198PF00069_PDPK1_HUMAN31 100% 0.269 PF00069 C2_S162 - (10)20 4 / 20 / 6 25 37 0.68
199PF00069_CLK4_HUMAN10 87% 0.342 PF00069 C1_S136 - (13)16 - / 8 / 8 9 23 -0.04
200PF00069_CDK16_HUMAN25 99% 0.303 PF00069 C1_S138 - (9)20 1 / 12 / 10 17 34 -0.21

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