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_DMPK_HUMAN18 100% 0.334 PF00069 C1_S142 - (7)19 - / 5 / 16 12 21 0.07
151PF00069_E2AK2_HUMAN13 99% 0.228 PF00069 C2_S132 - (11)14 2 / 5 / 9 10 14 0.28
152PF00069_GSK3_DICDI15 68% 0.390 PF00069 C1_S132 - (10)16 - / 7 / 9 12--
153PF00069_GSK3A_HUMAN33 86% 0.589 PF00069 C1_S158 - (14)20 1 / 16 / 16 17 21 -0.19
154PF00069_GSK3B_HUMAN35 100% 0.676 PF00069 C1_S160 - (13)20 1 / 17 / 16 16 207 0.26
155PF00069_GSK3B_MOUSE35 100% 0.676 PF00069 C1_S160 - (13)20 1 / 17 / 16 16 1 -
156PF00069_GSK3B_RAT35 99% 0.680 PF00069 C1_S160 - (13)20 1 / 17 / 17 16--
157PF00069_IKKE_HUMAN13 72% 0.430 PF00069 C1_S134 - (6)12 1 / 10 / 2 6 10 -0.12
158PF00069_IRAK4_HUMAN13 100% 0.304 PF00069 C2_S133 - (10)18 3 / 11 / 10 11 20 0.26
159PF00069_KAPCA_BOVIN66 100% 0.761 PF00069 C1_S1144 - (9)20 17 / 54 / 48 38 1 -
160PF00069_KAPCA_HUMAN66 99% 0.813 PF00069 C1_S1143 - (12)20 18 / 48 / 51 37 31 0.45
161PF00069_KAPCA_MOUSE65 100% 0.823 PF00069 C1_S1129 - (38)20 9 / 46 / 55 27 15 -0.39
162PF00069_KAPCA_RAT66 99% 0.766 PF00069 C1_S1139 - (24)20 18 / 54 / 39 36--
163PF00069_KAPCB_HUMAN66 92% 0.801 PF00069 C1_S1147 - (11)20 17 / 48 / 53 39 12 0.39
164PF00069_KAPCB_RAT66 93% 0.794 PF00069 C1_S1147 - (11)20 17 / 48 / 53 39 3 1.00
165PF00069_KC1A_HUMAN34 76% 0.459 PF00069 C1_S153 - (5)20 - / 31 / 6 14 14 0.49
166PF00069_KC1A_RAT34 76% 0.482 PF00069 C1_S151 - (5)20 - / 32 / 6 14--
167PF00069_KC1AL_HUMAN24 72% 0.444 PF00069 C1_S144 - (5)19 - / 22 / 6 13 11 -0.03
168PF00069_KC1D_BOVIN35 100% 0.568 PF00069 C1_S151 - (4)20 - / 31 / 6 15 27 -0.13
169PF00069_KC1D_RAT35 100% 0.560 PF00069 C1_S151 - (4)20 - / 30 / 6 15--
170PF00069_KC1E_HUMAN35 100% 0.536 PF00069 C1_S150 - (4)20 - / 30 / 6 16 42 0.09
171PF00069_KC1G1_HUMAN18 89% 0.369 PF00069 C1_S140 - (5)19 - / 13 / 10 15 14 0.12
172PF00069_KC1G2_HUMAN18 88% 0.357 PF00069 C1_S140 - (6)19 - / 9 / 13 17 15 0.04
173PF00069_KC1G3_HUMAN16 100% 0.330 PF00069 C1_S138 - (5)17 - / 10 / 11 15 13 -0.25
174PF00069_KCC1A_HUMAN23 100% 0.405 PF00069 C1_S144 - (14)20 - / 13 / 13 12 8 -0.10
175PF00069_KCC1D_HUMAN22 84% 0.424 PF00069 C1_S145 - (17)20 - / 10 / 15 10 11 0.12
176PF00069_KCC1G_HUMAN21 100% 0.325 PF00069 C1_S142 - (10)20 1 / 10 / 13 12 7 0.55
177PF00069_KCC2A_HUMAN13 99% 0.394 PF00069 C1_S116 - (0)13 - / 6 / 7 7 5 0.09
178PF00069_KCC2A_RAT13 99% 0.394 PF00069 C1_S116 - (0)13 - / 6 / 7 7--
179PF00069_KCC2B_HUMAN12 99% 0.259 PF00069 C1_S115 - (0)13 - / 2 / 10 7 3 -0.40
180PF00069_KCC2D_HUMAN13 99% 0.373 PF00069 C1_S117 - (5)8 - / 2 / 10 6 1 -
181PF00069_KCC2G_HUMAN15 99% 0.338 PF00069 C1_S118 - (0)13 - / 6 / 9 8 8 0.30
182PF00069_KCC4_HUMAN16 100% 0.277 PF00069 C1_S136 - (11)17 - / 7 / 13 11 5 -0.42
183PF00069_KGP1_BOVIN21 45% 0.252 PF00069 C2_S147 - (6)20 - / 22 / 13 19--
184PF00069_KGP1_HUMAN21 45% 0.242 PF00069 C2_S153 - (7)20 - / 21 / 15 20 4 0.53
185PF00069_KKCC2_HUMAN14 100% 0.198 PF00069 C1_S146 - (9)16 - / 8 / 7 14 8 0.56
186PF00069_KPCD2_HUMAN9 37% 0.174 PF00069 C1_S135 - (11)11 1 / 4 / 6 7 1 -
187PF00069_KPCD3_HUMAN14 39% 0.157 PF00069 C1_S137 - (12)15 - / 6 / 9 10 7 0.60
188PF00069_M3K14_HUMAN9 100% 0.195 PF00069 C1_S140 - (12)13 2 / 7 / 6 8--
189PF00069_M3K15_HUMAN14 83% 0.101 PF00069 C1_S146 - (6)17 4 / 7 / 6 10 6 0.80
190PF00069_M3K2_HUMAN13 40% 0.241 PF00069 C1_S131 - (9)16 2 / 5 / 7 11 6 0.06
191PF00069_M3K3_HUMAN14 40% 0.174 PF00069 C1_S130 - (7)17 2 / 7 / 6 11 7 -0.09
192PF00069_M3K5_HUMAN17 100% 0.128 PF00069 C1_S143 - (9)19 4 / 8 / 8 12 6 0.22
193PF00069_M3K6_HUMAN12 75% 0.097 PF00069 C1_S135 - (6)15 2 / 7 / 6 11 4 0.79
194PF00069_M4K4_HUMAN13 91% 0.126 PF00069 C1_S121 - (0)12 - / 4 / 7 9 8 0.30
195PF00069_MAPK2_HUMAN14 100% 0.367 PF00069 C1_S132 - (9)14 - / 10 / 5 11 4 0.80
196PF00069_MAPK2_MOUSE11 98% 0.382 PF00069 C1_S123 - (6)12 - / 6 / 6 11--
197PF00069_MAPK3_HUMAN18 100% 0.389 PF00069 C1_S134 - (6)19 - / 15 / 6 13--
198PF00069_MARK1_HUMAN14 100% 0.217 PF00069 C1_S128 - (6)12 3 / 9 / 2 9 12 0.37
199PF00069_MARK2_HUMAN14 100% 0.213 PF00069 C1_S130 - (7)12 3 / 9 / 2 9 11 0.12
200PF00069_MARK3_HUMAN12 99% 0.225 PF00069 C1_S129 - (7)10 3 / 7 / 2 7 3 0.67

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