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)
1PF00536_EPHA2_HUMAN23 100% 0.165 PF00536 C2_S129 - (14)14 2 / 7 / 15 9--
2PF00089_CMA1_HUMAN19 100% 0.729 PF00089 C1_S129 - (0)15 1 / 4 / 12 11 20 0.22
3PF00069_TNIK_HUMAN13 100% 0.115 PF00069 C1_S118 - (0)12 - / 4 / 7 9 18 -0.02
4PF00685_ST1E1_MOUSE22 100% 0.567 PF00685 C1_S163 - (48)8 22 / 5 / 7 6--
5PF13733_B4GT1_BOVIN58 100% 0.597 PF13733 C1_S1139 - (88)20 - / 23 / 69 12--
6PF00069_AVR2A_HUMAN19 100% 0.302 PF08515 C1_S133 - (0)17 1 / 15 / 4 12 7 0.36
7PF08515_TGFR1_HUMAN16 100% 0.350 PF08515 C1_S121 - (0)19 1 / 12 / 3 13--
8PF00413_MMP11_MOUSE14 100% 0.395 PF01471 C1_S136 - (0)12 2 / 8 / 6 7--
9PF08123_DOT1L_HUMAN12 100% 0.227 PF08123 C2_S113 - (0)12 6 / 5 / 2 10--
10PF00069_MP2K4_HUMAN19 100% 0.365 PF00069 C1_S153 - (25)20 - / 20 / 14 18 18 0.16
11PF00026_PLM2_PLAFA25 100% 0.763 PF00026 C6_S140 - (0)14 15 / 5 / 5 9 34 0.30
12PF07686_VGFR2_HUMAN33 100% 0.131 PF07686 C2_S135 - (0)20 22 / 10 / 1 25--
13PF01471_MMP13_HUMAN57 100% 0.502 PF01471 C3_S191 - (0)20 28 / 24 / 5 18--
14PF00112_CATL1_HUMAN24 100% 0.748 PF00112 C5_S134 - (0)19 2 / 7 / 12 10--
15PF14604_ACK1_HUMAN13 100% 0.163 PF07714 C1_S118 - (3)13 4 / 1 / 8 9--
16PF00061_RABP1_MOUSE34 100% 0.578 PF00061 C7_S146 - (0)20 - / 11 / 21 12 5 0.73
17PF00069_MP2K6_HUMAN18 100% 0.396 PF00069 C1_S151 - (22)20 3 / 24 / 6 14 10 -0.11
18PF00089_PROC_HUMAN24 100% 0.273 PF00089 C1_S130 - (0)20 - / 10 / 14 19--
19PF00244_1433S_HUMAN55 100% 0.570 PF00244 C11_S179 - (0)20 7 / 28 / 23 7--
20PF00068_PA21B_HUMAN50 100% 0.487 PF00068 C7_S196 - (0)20 - / 10 / 31 16 1 -
21PF00069_PDPK1_HUMAN31 100% 0.269 PF00069 C2_S162 - (10)20 4 / 20 / 6 25 37 0.68
22PF00089_ST14_HUMAN21 100% 0.246 PF00089 C1_S133 - (0)16 1 / 6 / 11 8--
23PF00303_DRTS_PLAFK25 100% 0.592 PF00303 C6_S155 - (29)13 24 / 11 / 14 9--
24PF00685_ST1E1_HUMAN26 100% 0.797 PF00685 C3_S175 - (55)11 26 / 4 / 11 7--
25PF02244_CBPA1_BOVIN42 100% 0.749 PF02244 C2_S150 - (0)20 1 / 5 / 38 20--
26PF02274_DDAH1_HUMAN14 100% 0.609 PF02274 C1_S118 - (14)15 - / - / 12 6--
27PF00105_RXRA_MOUSE33 100% 0.450 PF00105 C6_S149 - (0)20 16 / 13 / 4 16--
28PF00105_ESR2_HUMAN61 100% 0.274 PF00105 C4_S199 - (0)20 4 / 47 / 12 29--
29PF02868_THER_BACTH57 100% 0.473 PF02868 C1_S1140 - (0)20 - / 13 / 50 25--
30PF00069_MK07_HUMAN14 100% 0.250 PF00069 C1_S120 - (7)12 - / 7 / 7 8 7 0.12
31PF00149_PP2AA_BOVIN22 100% 0.564 PF00149 C3_S128 - (0)6 4 / 14 / 3 7--
32PF00186_DYR_HUMAN65 100% 0.848 PF00186 C4_S1146 - (84)20 58 / 44 / 16 37--
33PF00787_P3C2A_HUMAN17 100% 0.208 PF00613 C1_S123 - (2)18 - / 7 / 11 17--
34PF00112_CATZ_HUMAN9 100% 0.576 PF00112 C3_S129 - (0)9 - / - / 7 6--
35PF00337_LEG1_HUMAN30 100% 0.631 PF00337 C8_S143 - (0)13 - / - / 24 6--
36PF00194_CAH4_HUMAN24 100% 0.398 PF00194 C5_S143 - (7)20 - / 1 / 19 9--
37PF00105_RARG_HUMAN24 100% 0.444 PF00105 C3_S168 - (0)17 16 / 9 / 6 12--
38PF00069_CSK21_HUMAN49 100% 0.667 PF00069 C1_S184 - (14)20 3 / 22 / 19 22 84 0.34
39PF02868_ELAS_PSEAE16 100% 0.451 PF02868 C1_S124 - (0)14 - / 8 / 11 10--
40PF00061_FABP5_HUMAN19 100% 0.495 PF00061 C4_S131 - (0)14 - / 7 / 12 9 9 0.12
41PF00105_ANDR_MOUSE65 100% 0.208 PF00105 C4_S1125 - (0)20 3 / 67 / 23 22--
42PF03414_BGAT_HUMAN57 100% 0.448 PF03414 C1_S1112 - (87)20 - / 24 / 57 15--
43PF01471_MMP12_HUMAN57 100% 0.543 PF01471 C3_S1123 - (0)20 7 / 27 / 29 36--
44PF00069_CHK2_HUMAN31 100% 0.547 PF00069 C1_S141 - (9)20 1 / 14 / 15 26 19 0.10
45PF00348_FPPS_HUMAN38 100% 0.485 PF00348 C1_S154 - (8)20 - / 7 / 36 16--
46PF07647_TNKS1_MOUSE49 100% 0.519 PF07647 C1_S159 - (0)20 29 / 14 / 12 20--
47PF01471_MMP8_HUMAN27 100% 0.561 PF01471 C1_S142 - (0)20 7 / 15 / 8 12--
48PF00348_GGPPS_HUMAN18 100% 0.479 PF00348 C1_S132 - (10)20 2 / 9 / 12 16--
49PF00628_BAZ2B_HUMAN11 100% 0.033 PF00643 C2_S122 - (0)11 - / 2 / 9 9--
50PF01327_DEF_STAAU14 100% 0.778 PF01327 C2_S129 - (3)12 - / 4 / 8 6--

<< Page / 21 >> - Show