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)
150PF02196_RAF1_HUMAN54 100% 0.172 PF02196 C2_S172 - (5)20 18 / 32 / 4 22--
151PF00089_TRYB1_MOUSE44 78% 0.490 PF00089 C1_S166 - (0)20 - / 15 / 21 9--
152PF00018_LYN_RAT61 98% 0.457 PF00018 C2_S171 - (3)20 26 / 30 / 5 19--
153PF00254_FKB1A_HUMAN49 100% 0.748 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
154PF00433_KPCB_RAT22 96% 0.370 PF00433 C1_S149 - (12)20 - / 24 / 10 14--
155PF00653_BIRC7_HUMAN39 100% 0.228 PF00653 C1_S151 - (0)20 - / 24 / 10 12--
156PF00105_ESR2_RAT62 100% 0.268 PF00105 C4_S1129 - (0)20 4 / 51 / 42 28--
157PF00105_NR1H4_MOUSE35 98% 0.327 PF00105 C3_S158 - (0)20 30 / 3 / - 14--
158PF00026_RENI_HUMAN48 100% 0.440 PF00026 C5_S177 - (0)20 19 / 28 / 8 28 29 -0.38
159PF00018_ABL1_HUMAN69 100% 0.318 PF00018 C3_S184 - (11)20 48 / 22 / 7 26 258 0.52
160PF00018_HCK_HUMAN59 100% 0.664 PF00018 C4_S171 - (4)20 25 / 29 / 5 18 49 0.21
161PF00659_PLK3_HUMAN18 100% 0.231 PF00659 C1_S140 - (6)20 5 / 10 / 5 17--
162PF02375_KDM4A_HUMAN49 100% 0.202 PF02375 C5_S186 - (0)20 7 / 8 / 51 14--
163PF01433_AMP1_PLAFQ19 99% 0.414 PF01433 C3_S154 - (0)20 - / - / 6 6--
164PF00089_TRYP_PIG41 100% 0.840 PF00089 C1_S159 - (0)20 2 / 4 / 28 15--
165PF00439_BRDT_HUMAN60 100% 0.111 PF00439 C6_S1101 - (0)20 1 / 30 / 25 38--
166PF00156_HPRT_HUMAN25 100% 0.701 PF00156 C2_S149 - (31)20 - / 12 / 17 9--
167PF00194_CAH12_HUMAN31 100% 0.557 PF00194 C1_S161 - (16)20 - / - / 25 10--
168PF00017_BMX_MOUSE31 93% 0.272 PF00018 C2_S142 - (2)20 5 / 25 / 3 22--
169PF00248_ALDR_RAT69 85% 0.874 PF00248 C7_S1144 - (76)20 75 / 26 / 10 28--
170PF00348_GGPPS_HUMAN18 100% 0.479 PF00348 C1_S132 - (10)20 2 / 9 / 12 16--
171PF00018_TEC_HUMAN32 67% 0.312 PF00018 C3_S139 - (2)20 5 / 26 / 3 27 18 0.58
172PF00433_KPCA_RAT23 99% 0.374 PF00433 C1_S151 - (13)20 - / 23 / 11 14--
173PF00069_KAPCA_MOUSE65 100% 0.823 PF00069 C1_S1129 - (38)20 9 / 46 / 55 27 15 -0.39
174PF00069_CDK16_HUMAN25 99% 0.303 PF00069 C1_S138 - (9)20 1 / 12 / 10 17 34 -0.21
175PF01327_DEF_PSEAE29 100% 0.728 PF01327 C2_S142 - (4)20 - / 10 / 16 9--
176PF01030_ERBB4_HUMAN56 100% 0.269 PF01030 C3_S161 - (13)20 13 / 23 / 19 24--
177PF00105_VDR_PIG50 93% 0.435 PF00105 C5_S169 - (0)20 48 / 2 / - 42--
178PF07686_VGFR2_HUMAN33 100% 0.131 PF07686 C2_S135 - (0)20 22 / 10 / 1 25--
179PF01536_DCAM_HUMAN44 100% 0.548 PF01536 C3_S160 - (24)20 - / - / 37 12--
180PF00348_FPPS_HUMAN38 100% 0.485 PF00348 C1_S154 - (8)20 - / 7 / 36 16--
181PF00105_VDR_CHICK29 96% 0.393 PF00105 C1_S156 - (0)20 23 / 1 / 5 22--
182PF00343_PYGM_HUMAN28 97% 0.809 PF00343 C4_S152 - (10)20 - / 11 / 37 19--
183PF00069_KAPCA_HUMAN66 99% 0.813 PF00069 C1_S1143 - (12)20 18 / 48 / 51 37 31 0.45
184PF00273_ALBU_MOUSE38 76% 0.556 PF00273 C4_S168 - (0)20 - / 6 / 19 11--
185PF00026_RENI_MACMU48 99% 0.444 PF00026 C6_S180 - (0)20 19 / 28 / 8 28--
186PF00186_DYR_HUMAN65 100% 0.848 PF00186 C4_S1146 - (84)20 58 / 44 / 16 37--
187PF00194_CAH3_HUMAN22 98% 0.793 PF00194 C1_S136 - (3)20 - / - / 19 13--
188PF13419_HYES_RAT21 91% 0.558 PF13419 C1_S126 - (0)20 - / 13 / 8 16--
189PF00105_PPARA_CANFA30 97% 0.490 PF00105 C3_S166 - (0)20 12 / 8 / 11 15--
190PF00551_PUR3_ECOLI24 100% 0.883 PF00551 C5_S144 - (12)20 9 / 10 / 11 9--
191PF00069_MK09_MOUSE51 95% 0.399 PF00069 C1_S176 - (7)20 11 / 36 / 13 27--
192PF00433_KPCE_RAT22 70% 0.304 PF00433 C1_S150 - (12)20 - / 24 / 12 16--
193PF07647_TNKS1_MOUSE49 100% 0.519 PF07647 C1_S159 - (0)20 29 / 14 / 12 20--
194PF00144_BLAT_ECOLX21 100% 0.799 PF00144 C1_S134 - (4)20 - / - / 17 11--
195PF00069_CDK3_HUMAN61 77% 0.561 PF00069 C1_S187 - (7)20 1 / 21 / 35 33 11 -0.32
196PF00069_CDK19_HUMAN23 91% 0.369 PF00069 C1_S154 - (8)20 3 / 7 / 14 14 16 0.23
197PF01180_PYRD_MOUSE29 94% 0.518 PF01180 C2_S1113 - (67)20 30 / 25 / 30 24--
198PF00186_DYR_CHICK65 100% 0.795 PF00186 C5_S1135 - (78)20 52 / 42 / 22 35--
199PF00026_RENI_MACFA48 99% 0.444 PF00026 C6_S177 - (0)20 19 / 28 / 8 28--
200PF00105_RXRG_RAT33 95% 0.359 PF00105 C4_S149 - (0)20 13 / 16 / 4 14--

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