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]
1PA365072 58% 0.584 PF13288 C1_S1122 - (57)20 35 / 18 / 20 16
2PA496763 76% 0.506 PF01751 C2_S166 - (0)20 6 / 24 / 23 20
3PA411080 100% 0.579 PF00144 C1_S199 - (0)20 - / - / 58 32
4PA457276 51% 0.533 PF00254 C4_S1119 - (0)20 - / 34 / 22 11
5PA152930 57% 0.512 PF03119 C4_S151 - (28)20 - / 16 / 15 14
6PA543650 56% 0.530 PF02786 C1_S166 - (31)20 - / 15 / 27 17
7PA112550 48% 0.550 PF02146 C3_S1157 - (42)20 13 / 21 / 19 7
8PA382350 54% 0.593 PF01702 C4_S145 - (17)20 - / 10 / 23 21
9PA440668 100% 0.532 PF03331 C8_S1107 - (0)20 1 / 39 / 20 21
10PA472861 59% 0.696 PF01288 C7_S1101 - (41)20 2 / 23 / 32 8
11PA000474 74% 0.594 PF01751 C3_S174 - (0)20 6 / 33 / 19 23
12PA473257 51% 0.562 PF00342 C3_S140 - (39)20 - / - / 39 11
13PA042051 41% 0.529 PF00202 C1_S1106 - (63)20 - / 6 / 42 8
14PA381088 42% 0.529 PF00012 C5_S1102 - (0)20 4 / 56 / 15 9
15PA270965 71% 0.532 PF00291 C3_S188 - (59)20 - / 11 / 47 8
16PA065042 59% 0.604 PF00591 C11_S175 - (1)20 - / 13 / 30 8
17PA001982 100% 0.732 PF01327 C5_S1109 - (26)20 - / 25 / 44 15
18PA377049 100% 0.602 PF00478 C2_S173 - (50)20 - / 17 / 24 3
19PA308336 50% 0.453 PF01433 C3_S1114 - (27)20 - / 8 / 21 20
20PA036365 61% 0.586 PF01467 C2_S1101 - (83)20 4 / 20 / 32 9
21PA083632 48% 0.540 PF00871 C2_S158 - (48)20 2 / 6 / 16 12
22PA400639 100% 0.577 PF01467 C3_S177 - (44)20 8 / 9 / 15 5
23PA365253 57% 0.545 PF01255 C9_S1101 - (28)20 - / 29 / 20 14
24PA214466 46% 0.507 PF00343 C7_S1119 - (35)20 - / 13 / 49 33
25PA362784 100% 0.557 PF02542 C8_S191 - (72)20 - / - / 66 8
26PA034294 79% 0.597 PF00303 C8_S1158 - (84)20 - / 12 / 57 12
27PA371752 52% 0.599 PF00254 C3_S1111 - (0)20 - / 28 / 8 12
28PA075059 60% 0.572 PF03167 C8_S188 - (0)20 2 / 9 / 31 12
29PA035059 48% 0.527 PF00186 C3_S1121 - (74)20 14 / 28 / 15 15
30PA372486 100% 0.760 PF02868 C12_S1159 - (0)20 - / 21 / 28 36
31PA040257 39% 0.627 PF02729 C6_S161 - (47)20 - / 24 / 13 8
32PA377452 49% 0.579 PF00850 C6_S136 - (0)20 - / 4 / 24 6
33PA049442 60% 0.620 PF02786 C1_S168 - (32)20 - / 18 / 22 16
34PA336191 100% 0.751 PF00577 C9_S1100 - (0)20 - / - / 83 11
35PA404357 100% 0.594 PF00348 C1_S176 - (62)20 - / 2 / 40 7
36PA474867 52% 0.580 PF00121 C5_S151 - (43)20 - / - / 40 10
37PA516373 100% 0.823 PF00483 C1_S153 - (13)20 - / 14 / 48 17
38PA397760 55% 0.620 PF00202 C1_S1122 - (55)20 - / - / 57 9
39PA455760 67% 0.630 PF02401 C9_S1117 - (0)20 - / 3 / 72 11
40PA168778 60% 0.524 PF05175 C1_S1113 - (93)20 5 / 53 / 16 5
41PA365794 100% 0.535 PF00557 C2_S184 - (1)20 - / 9 / 63 35
42PA296254 100% 0.561 PF01712 C2_S184 - (46)20 3 / 36 / 12 21
43PA140053 53% 0.486 PF02786 C2_S155 - (23)20 - / 16 / 24 16
44PA484835 100% 0.655 PF02786 C1_S160 - (33)20 2 / 17 / 11 12
45PA180675 100% 0.597 PF00106 C1_S1148 - (85)20 56 / 21 / 7 11
46PA473098 56% 0.628 PF02569 C6_S1262 - (191)20 7 / 37 / 30 23
47PA494930 34% 0.503 PF03853 C3_S157 - (49)20 1 / 8 / 21 11
48PA313993 73% 0.688 PF00155 C1_S1124 - (94)20 15 / 17 / 48 12
49PA362983 65% 0.602 PF00107 C1_S1151 - (99)20 46 / 31 / 7 5
50PA475068 60% 0.652 PF00809 C5_S186 - (33)20 - / 6 / 62 26

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