Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000002438 (Pseudomonas aeruginosa - Jan 2016)

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


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
1PA092322 49% 0.575 PF11798 C3_S1330 - (291)14 3 / 6 / 20 7
2PA473098 56% 0.628 PF02569 C6_S1262 - (191)20 7 / 37 / 30 23
3PA549396 63% 0.557 PF00476 C4_S1244 - (172)11 37 / 30 / 13 1
4PA122420 66% 0.424 PF02525 C1_S1208 - (103)1 1 / - / - 1
5PA122520 31% 0.420 PF02525 207 - (101)? - / - / - 0
6PA497531 43% 0.501 PF02525 C1_S1205 - (101)10 - / 6 / 2 1
7PA078520 100% 0.624 PF02525 C1_S1198 - (97)2 9 / - / - 1
8PA196222 70% 0.562 PF02525 C1_S1193 - (103)6 1 / 10 / 2 2
9PA305055 57% 0.557 PF01180 C1_S1185 - (115)10 51 / 5 / 5 5
10PA416782 46% 0.571 PF00248 C3_S1182 - (103)19 51 / 8 / 12 3
11PA322723 67% 0.604 PF00160 C8_S1182 - (0)5 - / 2 / 3 0
12PA333020 34% 0.472 PF00106 180 - (114)? - / - / - 0
13PA035734 55% 0.435 PF06827 C12_S1162 - (0)6 - / 8 / 10 1
14PA333138 43% 0.629 PF00067 C4_S1159 - (0)4 31 / - / - 1
15PA372486 100% 0.760 PF02868 C12_S1159 - (0)20 - / 21 / 28 36
16PA034294 79% 0.597 PF00303 C8_S1158 - (84)20 - / 12 / 57 12
17PA112550 48% 0.550 PF02146 C3_S1157 - (42)20 13 / 21 / 19 7
18PA119743 36% 0.526 PF02146 C4_S1154 - (38)18 5 / 5 / 9 4
19PA168642 40% 0.533 PF00730 C6_S1153 - (0)4 - / 1 / 32 2
20PA087095 47% 0.605 PF00155 C1_S1151 - (112)20 15 / 22 / 59 14
21PA362983 65% 0.602 PF00107 C1_S1151 - (99)20 46 / 31 / 7 5
22PA138441 56% 0.640 PF01370 C1_S1151 - (126)10 41 / 4 / - 4
23PA386911 50% 0.544 PF00155 150 - (0)? - / - / - 0
24PA41340 31% 0.180 PF00584 150 - (0)? - / - / - 0
25PA28470 29% -0.104 PF00230 150 - (0)? - / - / - 0
26PA147026 57% 0.557 PF00106 C1_S1150 - (93)6 5 / - / - 2
27PA435673 81% 0.698 PF00724 C4_S1149 - (69)8 - / 49 / 11 3
28PA180675 100% 0.597 PF00106 C1_S1148 - (85)20 56 / 21 / 7 11
29PA202575 47% 0.548 PF02852 C1_S1147 - (113)6 71 / - / 2 1
30PA247522 36% 0.532 PF00067 C6_S1146 - (1)4 - / - / 2 0
31PA368694 66% 0.647 PF05191 C2_S1143 - (130)12 59 / 30 / 2 5
32PA381627 47% 0.581 PF12464 C1_S1139 - (94)7 - / - / 13 1
33PA134421 50% 0.517 PF00106 C1_S1136 - (83)1 - / - / 1 1
34PA084020 45% 0.576 PF00724 C5_S1134 - (75)? - / 1 / - 0
35PA248216 45% 0.364 PF00034 C4_S1133 - (0)5 5 / 1 / 3 2
36PA266430 52% 0.531 PF00175 C1_S1133 - (44)7 22 / 4 / 2 2
37PA395731 39% 0.583 PF00106 C1_S1133 - (90)8 2 / 3 / 11 5
38PA137711 100% 0.552 PF13302 C1_S1132 - (0)3 - / - / 1 0
39PA388324 37% 0.442 PF00106 C1_S1132 - (100)2 - / 1 / 3 1
40PA55592 55% 0.289 PF00137 131 - (0)? - / - / - 0
41PA018224 54% 0.663 PF00106 129 - (73)4 - / - / - 0
42PA137920 41% 0.596 PF00106 127 - (99)? - / - / - 0
43PA552121 38% 0.562 PF00106 C1_S1126 - (85)1 1 / - / - 1
44PA313993 73% 0.688 PF00155 C1_S1124 - (94)20 15 / 17 / 48 12
45PA397760 55% 0.620 PF00202 C1_S1122 - (55)20 - / - / 57 9
46PA365072 58% 0.584 PF13288 C1_S1122 - (57)20 35 / 18 / 20 16
47PA065820 40% 0.606 PF00106 122 - (83)? - / - / - 0
48PA048011 100% 0.553 PF13419 C1_S1121 - (0)1 - / - / 1 0
49PA035059 48% 0.527 PF00186 C3_S1121 - (74)20 14 / 28 / 15 15
50PA310627 44% 0.555 PF00106 C1_S1120 - (84)6 7 / 2 / 3 2

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