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)
1PF01327_DEF_MYCTU20 100% 0.584 PF01327 C1_S138 - (5)17 - / 5 / 13 7--
2PF12680_SDIS_PSEPU26 100% 0.518 PF12680 C1_S126 - (4)12 - / 3 / 19 6--
3PF00105_THB_HUMAN15 100% 0.302 PF00105 C2_S140 - (0)9 5 / 10 / - 6--
4PF00069_MK10_HUMAN37 100% 0.384 PF00069 C2_S150 - (7)20 9 / 16 / 10 26 137 0.35
5PF01596_COMT_HUMAN19 100% 0.452 PF01596 C1_S140 - (14)17 9 / 4 / 5 15--
6PF00653_BIRC7_HUMAN39 100% 0.228 PF00653 C1_S151 - (0)20 - / 24 / 10 12--
7PF00069_KKCC2_HUMAN14 100% 0.198 PF00069 C1_S146 - (9)16 - / 8 / 7 14 8 0.56
8PF13419_HYES_HUMAN21 100% 0.566 PF13419 C1_S130 - (0)20 3 / 12 / 6 16--
9PF00098_POL_HV1H258 100% 0.313 PF00098 C6_S166 - (0)20 28 / 28 / 3 38--
10PF00704_CHIA_SERMA16 100% 0.796 PF00704 C1_S154 - (20)19 3 / 4 / 12 6--
11PF01652_IF4E_HUMAN23 100% 0.748 PF01652 C8_S131 - (0)13 - / 23 / - 9--
12PF00074_RNAS1_BISBI29 100% 0.433 PF00074 C9_S139 - (0)20 - / 1 / 24 9 5 0.19
13PF00106_DHI1_MOUSE55 100% 0.467 PF00106 C4_S1129 - (74)20 55 / 26 / 15 16--
14PF00105_RORG_HUMAN20 100% 0.291 PF00105 C3_S159 - (0)18 4 / 18 / 6 10--
15PF08515_TGFR1_HUMAN16 100% 0.350 PF08515 C1_S121 - (0)19 1 / 12 / 3 13--
16PF00348_GGPPS_YEAST44 100% 0.422 PF00348 C1_S166 - (26)20 2 / 19 / 26 19--
17PF00194_CAH12_HUMAN31 100% 0.557 PF00194 C1_S161 - (16)20 - / - / 25 10--
18PF00149_PP2AA_HUMAN22 100% 0.564 PF00149 C3_S128 - (0)6 4 / 14 / 3 7--
19PF00628_BAZ2B_HUMAN11 100% 0.033 PF00643 C2_S122 - (0)11 - / 2 / 9 9--
20PF01536_DCAM_HUMAN44 100% 0.548 PF01536 C3_S160 - (24)20 - / - / 37 12--
21PF09160_FIMH_ECOLI28 100% 0.536 PF09160 C2_S128 - (0)20 - / 11 / 16 13--
22PF00018_SRC_RSVSA45 100% 0.695 PF00018 C1_S156 - (4)20 18 / 22 / 6 27--
23PF07647_TNKS1_MOUSE49 100% 0.519 PF07647 C1_S159 - (0)20 29 / 14 / 12 20--
24PF00026_PENP_PENJA29 100% 0.820 PF00026 C5_S146 - (0)19 6 / 19 / 5 15 7 -0.76
25PF00102_PTN1_HUMAN32 100% 0.544 PF00102 C3_S142 - (6)20 2 / 20 / 9 15--
26PF01712_DCK_HUMAN62 100% 0.720 PF01712 C2_S1151 - (116)20 8 / 51 / 59 24--
27PF00433_KS6A1_HUMAN26 100% 0.247 PF00433 C1_S140 - (9)20 - / 23 / 3 11--
28PF02146_HST2_YEAST25 100% 0.461 PF02146 C3_S169 - (28)19 15 / 20 / 11 7--
29PF00254_FKB1A_HUMAN49 100% 0.748 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
30PF13288_DXR_ECOLI22 100% 0.824 PF13288 C1_S135 - (16)11 11 / 3 / 21 9--
31PF00068_PA21B_PIG50 100% 0.399 PF00068 C6_S196 - (0)20 - / 10 / 28 15--
32PF02375_KDM4A_HUMAN49 100% 0.202 PF02375 C5_S186 - (0)20 7 / 8 / 51 14--
33PF00067_CP3A4_HUMAN14 100% 0.566 PF00067 C3_S177 - (8)7 15 / 8 / 4 7 15 0.33
34PF00135_ACES_TORCA42 100% 0.717 PF00135 C1_S175 - (1)20 8 / 10 / 11 17--
35PF00069_CDK8_HUMAN22 100% 0.394 PF00069 C1_S152 - (7)20 2 / 6 / 14 13 11 -0.08
36PF00102_PTN2_HUMAN17 100% 0.351 PF00102 C1_S121 - (0)16 - / 13 / 4 14--
37PF00069_STK4_HUMAN20 100% 0.333 PF00069 C1_S141 - (11)20 2 / 13 / 6 15 22 0.19
38PF00536_EPHA2_HUMAN23 100% 0.165 PF00536 C2_S129 - (14)14 2 / 7 / 15 9--
39PF00121_TPIS_TRYCR24 100% 0.851 PF00121 C6_S131 - (21)19 - / - / 25 9--
40PF00069_MK14_MOUSE30 100% 0.745 PF00069 C1_S142 - (5)20 6 / 14 / 9 19 19 -0.02
41PF00303_TYSY_RAT34 100% 0.771 PF00303 C6_S167 - (33)14 - / 12 / 34 6--
42PF02375_KDM4C_HUMAN49 100% 0.190 PF02375 C7_S186 - (0)20 7 / 8 / 49 14--
43PF02180_BCL2_HUMAN16 100% 0.332 PF02180 C1_S127 - (0)11 11 / 3 / 2 7--
44PF00105_PRGR_HUMAN35 100% 0.221 PF00105 C4_S167 - (0)20 6 / 31 / 4 19--
45PF00105_RARA_HUMAN24 100% 0.273 PF00105 C2_S172 - (0)19 15 / 9 / 14 12--
46PF00069_KCC1A_HUMAN23 100% 0.405 PF00069 C1_S144 - (14)20 - / 13 / 13 12 8 -0.10
47PF00018_ABL2_HUMAN69 100% 0.370 PF00018 C3_S181 - (9)20 40 / 28 / 7 24 40 0.28
48PF02244_CBPB1_PIG59 100% 0.786 PF02244 C2_S162 - (0)20 23 / 17 / 16 23--
49PF00089_THRB_BOVIN45 100% 0.371 PF00089 C4_S187 - (0)20 14 / 40 / 13 13--
50PF00068_PA2GA_HUMAN33 100% 0.509 PF00068 C6_S146 - (0)20 14 / 7 / 8 12--

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