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]
1PA296547 100% 0.534 PF02801 C3_S154 - (5)20 - / 7 / 16 9
2PA000474 74% 0.594 PF01751 C3_S174 - (0)20 6 / 33 / 19 23
3PA411080 100% 0.579 PF00144 C1_S199 - (0)20 - / - / 58 32
4PA472861 59% 0.696 PF01288 C7_S1101 - (41)20 2 / 23 / 32 8
5PA214466 46% 0.507 PF00343 C7_S1119 - (35)20 - / 13 / 49 33
6PA473098 56% 0.628 PF02569 C6_S1262 - (191)20 7 / 37 / 30 23
7PA494930 34% 0.503 PF03853 C3_S157 - (49)20 1 / 8 / 21 11
8PA035059 48% 0.527 PF00186 C3_S1121 - (74)20 14 / 28 / 15 15
9PA381088 42% 0.529 PF00012 C5_S1102 - (0)20 4 / 56 / 15 9
10PA180675 100% 0.597 PF00106 C1_S1148 - (85)20 56 / 21 / 7 11
11PA397760 55% 0.620 PF00202 C1_S1122 - (55)20 - / - / 57 9
12PA296254 100% 0.561 PF01712 C2_S184 - (46)20 3 / 36 / 12 21
13PA040257 39% 0.627 PF02729 C6_S161 - (47)20 - / 24 / 13 8
14PA475068 60% 0.652 PF00809 C5_S186 - (33)20 - / 6 / 62 26
15PA362784 100% 0.557 PF02542 C8_S191 - (72)20 - / - / 66 8
16PA473257 51% 0.562 PF00342 C3_S140 - (39)20 - / - / 39 11
17PA274887 57% 0.496 PF00557 C2_S183 - (1)20 - / 4 / 71 35
18PA270965 71% 0.532 PF00291 C3_S188 - (59)20 - / 11 / 47 8
19PA379847 55% 0.651 PF00155 C1_S174 - (46)20 - / 5 / 28 6
20PA455760 67% 0.630 PF02401 C9_S1117 - (0)20 - / 3 / 72 11
21PA377049 100% 0.602 PF00478 C2_S173 - (50)20 - / 17 / 24 3
22PA484835 100% 0.655 PF02786 C1_S160 - (33)20 2 / 17 / 11 12
23PA476189 81% 0.604 PF00012 C4_S1104 - (0)20 11 / 55 / 12 9
24PA428073 45% 0.549 PF08279 C6_S1109 - (93)20 13 / 32 / 13 13
25PA140053 53% 0.486 PF02786 C2_S155 - (23)20 - / 16 / 24 16
26PA075059 60% 0.572 PF03167 C8_S188 - (0)20 2 / 9 / 31 12
27PA336191 100% 0.751 PF00577 C9_S1100 - (0)20 - / - / 83 11
28PA308336 50% 0.453 PF01433 C3_S1114 - (27)20 - / 8 / 21 20
29PA371752 52% 0.599 PF00254 C3_S1111 - (0)20 - / 28 / 8 12
30PA365072 58% 0.584 PF13288 C1_S1122 - (57)20 35 / 18 / 20 16
31PA112550 48% 0.550 PF02146 C3_S1157 - (42)20 13 / 21 / 19 7
32PA372486 100% 0.760 PF02868 C12_S1159 - (0)20 - / 21 / 28 36
33PA087095 47% 0.605 PF00155 C1_S1151 - (112)20 15 / 22 / 59 14
34PA201245 100% 0.489 PF02786 C3_S160 - (27)20 - / 16 / 18 14
35PA049442 60% 0.620 PF02786 C1_S168 - (32)20 - / 18 / 22 16
36PA474867 52% 0.580 PF00121 C5_S151 - (43)20 - / - / 40 10
37PA065042 59% 0.604 PF00591 C11_S175 - (1)20 - / 13 / 30 8
38PA377452 49% 0.579 PF00850 C6_S136 - (0)20 - / 4 / 24 6
39PA516373 100% 0.823 PF00483 C1_S153 - (13)20 - / 14 / 48 17
40PA289150 62% 0.487 PF02786 C2_S159 - (26)20 1 / 19 / 22 18
41PA382350 54% 0.593 PF01702 C4_S145 - (17)20 - / 10 / 23 21
42PA362983 65% 0.602 PF00107 C1_S1151 - (99)20 46 / 31 / 7 5
43PA042051 41% 0.529 PF00202 C1_S1106 - (63)20 - / 6 / 42 8
44PA083632 48% 0.540 PF00871 C2_S158 - (48)20 2 / 6 / 16 12
45PA404357 100% 0.594 PF00348 C1_S176 - (62)20 - / 2 / 40 7
46PA496763 76% 0.506 PF01751 C2_S166 - (0)20 6 / 24 / 23 20
47PA365253 57% 0.545 PF01255 C9_S1101 - (28)20 - / 29 / 20 14
48PA313993 73% 0.688 PF00155 C1_S1124 - (94)20 15 / 17 / 48 12
49PA440668 100% 0.532 PF03331 C8_S1107 - (0)20 1 / 39 / 20 21
50PA152930 57% 0.512 PF03119 C4_S151 - (28)20 - / 16 / 15 14

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