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)
1PF00908_RMLC_MYCTU15 100% 0.899 PF00908 C2_S145 - (0)13 - / - / 17 7--
2PF00809_DHPS_ECOL619 100% 0.886 PF00809 C1_S125 - (14)20 - / 4 / 21 14--
3PF00551_PUR3_ECOLI24 100% 0.883 PF00551 C5_S144 - (12)20 9 / 10 / 11 9--
4PF00215_PYRF_METTH23 99% 0.874 PF00215 C1_S136 - (31)12 - / 19 / 2 6--
5PF00089_TRY2_RAT41 100% 0.874 PF00089 C1_S156 - (0)20 - / 5 / 27 9--
6PF00248_ALDR_RAT69 85% 0.874 PF00248 C7_S1144 - (76)20 75 / 26 / 10 28--
7PF00194_CAH2_HUMAN68 100% 0.873 PF00194 C6_S198 - (4)20 - / 5 / 57 42--
8PF04151_AMPX_VIBPR16 100% 0.870 PF04151 C1_S116 - (0)12 - / - / 10 7--
9PF02786_ACCC_ECOLI25 100% 0.869 PF02786 C1_S133 - (17)19 2 / 14 / 12 12--
10PF02569_PANC_MYCTU66 99% 0.862 PF02569 C7_S1134 - (97)20 11 / 24 / 23 19--
11PF00303_TYSY_ECO5760 100% 0.860 PF00303 C7_S1113 - (63)20 - / 9 / 50 11--
12PF02897_PPCE_MOUSE26 95% 0.859 PF02897 C1_S133 - (0)16 - / 8 / 13 10--
13PF01048_PUNA_MYCTU30 100% 0.859 PF01048 C7_S144 - (27)20 - / 6 / 26 14--
14PF02244_CBPB1_HUMAN59 100% 0.856 PF02244 C2_S165 - (0)20 23 / 17 / 16 24--
15PF00248_AK1C1_HUMAN52 100% 0.855 PF00248 C8_S1121 - (85)20 49 / 8 / 31 26--
16PF00121_TPIS_TRYCR24 100% 0.851 PF00121 C6_S131 - (21)19 - / - / 25 9--
17PF02897_PPCE_HUMAN23 97% 0.851 PF02897 C1_S128 - (0)15 - / 8 / 12 9--
18PF00186_DYR_HUMAN65 100% 0.848 PF00186 C4_S1146 - (84)20 58 / 44 / 16 37--
19PF00156_HGXR_PLAFG23 100% 0.845 PF00156 C3_S154 - (32)20 - / 13 / 22 11--
20PF01471_MMP7_HUMAN15 100% 0.845 PF01471 C1_S126 - (0)15 2 / 8 / 6 10--
21PF02897_PPCE_PIG26 100% 0.845 PF02897 C1_S133 - (0)16 - / 9 / 15 10--
22PF02540_NADE_BACSU19 100% 0.841 PF02540 C2_S147 - (45)10 - / 10 / 19 6--
23PF02897_PPCE_BOVIN26 97% 0.841 PF02897 C1_S133 - (0)16 - / 9 / 15 10--
24PF00704_CHIB_SERMA25 100% 0.840 PF00704 C1_S195 - (4)15 2 / - / 13 9--
25PF00089_TRYP_PIG41 100% 0.840 PF00089 C1_S159 - (0)20 2 / 4 / 28 15--
26PF00248_ALDR_BOVIN66 90% 0.838 PF00248 C7_S1140 - (73)20 74 / 23 / 10 22--
27PF00194_CAH1_HUMAN35 100% 0.838 PF00194 C2_S155 - (3)20 - / - / 26 13--
28PF02897_PPCE_RAT24 95% 0.837 PF02897 C1_S129 - (0)15 - / 7 / 14 9--
29PF00071_CDC42_HUMAN60 100% 0.833 PF00071 C1_S175 - (70)13 17 / 39 / 2 6--
30PF00067_CP2B4_RABIT18 99% 0.832 PF00067 C7_S175 - (3)9 18 / 1 / 14 10--
31PF01048_PNPH_HUMAN40 99% 0.832 PF01048 C5_S149 - (24)20 - / - / 38 16--
32PF00303_TYSY_LACCA54 100% 0.832 PF00303 C8_S167 - (53)20 - / 2 / 64 11--
33PF01702_TGT_ZYMMO55 99% 0.827 PF01702 C3_S172 - (18)20 2 / 18 / 32 32--
34PF00144_BLAC_STAAU11 100% 0.827 PF00144 C1_S124 - (5)11 - / - / 11 9--
35PF13288_DXR_ECOLI22 100% 0.824 PF13288 C1_S135 - (16)11 11 / 3 / 21 9--
36PF00248_AK1C2_HUMAN69 100% 0.824 PF00248 C6_S1154 - (106)20 65 / 9 / 35 28--
37PF00962_ADA_MOUSE27 100% 0.823 PF00962 C6_S146 - (16)20 2 / 9 / 14 17--
38PF00069_KAPCA_MOUSE65 100% 0.823 PF00069 C1_S1129 - (38)20 9 / 46 / 55 27 15 -0.39
39PF00105_PRGR_PONPY35 100% 0.823 PF00105 C5_S168 - (0)20 6 / 31 / 4 19--
40PF00089_TRY1_HUMAN35 99% 0.821 PF00089 C1_S149 - (0)16 - / 4 / 27 9--
41PF00026_PENP_PENJA29 100% 0.820 PF00026 C5_S146 - (0)19 6 / 19 / 5 15 7 -0.76
42PF00248_ALDR_PIG68 100% 0.819 PF00248 C5_S1138 - (74)20 73 / 26 / 11 25--
43PF01593_AOFB_RAT51 89% 0.817 PF01593 C1_S1119 - (80)10 51 / 8 / 29 15--
44PF01593_AOFB_BOVIN45 92% 0.816 PF01593 C1_S1110 - (73)10 45 / 4 / 30 11--
45PF00248_AK1C3_HUMAN68 100% 0.815 PF00248 C8_S1153 - (106)16 66 / 18 / 29 27--
46PF00089_TRY1_BOVIN55 100% 0.815 PF00089 C1_S195 - (0)20 3 / 2 / 43 18--
47PF00275_AROA_ECO5519 100% 0.814 PF00275 C2_S156 - (27)14 3 / 9 / 16 8--
48PF00343_PYGM_RABIT47 100% 0.814 PF00343 C11_S190 - (27)20 - / 13 / 70 30--
49PF00069_KAPCA_HUMAN66 99% 0.813 PF00069 C1_S1143 - (12)20 18 / 48 / 51 37 31 0.45
50PF00186_DYR_ECOL664 100% 0.813 PF00186 C5_S1115 - (88)20 28 / 52 / 10 18--

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