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]
1PA202575 47% 0.548 PF02852 C1_S1147 - (113)6 71 / - / 2 1
2PA368694 66% 0.647 PF05191 C2_S1143 - (130)12 59 / 30 / 2 5
3PA180675 100% 0.597 PF00106 C1_S1148 - (85)20 56 / 21 / 7 11
4PA416782 46% 0.571 PF00248 C3_S1182 - (103)19 51 / 8 / 12 3
5PA305055 57% 0.557 PF01180 C1_S1185 - (115)10 51 / 5 / 5 5
6PA362983 65% 0.602 PF00107 C1_S1151 - (99)20 46 / 31 / 7 5
7PA200357 76% 0.577 PF00106 C1_S1119 - (81)12 41 / 4 / 6 7
8PA138441 56% 0.640 PF01370 C1_S1151 - (126)10 41 / 4 / - 4
9PA549396 63% 0.557 PF00476 C4_S1244 - (172)11 37 / 30 / 13 1
10PA482947 53% 0.571 PF02852 C1_S157 - (52)4 36 / 1 / 1 2
11PA024737 100% 0.824 PF01494 C1_S1105 - (94)6 36 / 1 / 1 4
12PA365072 58% 0.584 PF13288 C1_S1122 - (57)20 35 / 18 / 20 16
13PA084941 71% 0.627 PF07992 C1_S1117 - (102)7 35 / - / 4 3
14PA458737 100% 0.512 PF00034 C2_S149 - (38)6 34 / 2 / 1 2
15PA225047 73% 0.570 PF02852 C1_S161 - (55)2 33 / 2 / - 1
16PA261644 72% 0.582 PF07992 C2_S1113 - (102)9 33 / - / 5 3
17PA158739 99% 0.672 PF02852 C2_S158 - (53)3 33 / - / - 1
18PA043033 42% 0.641 PF02219 C8_S164 - (52)6 32 / 1 / 3 3
19PA333138 43% 0.629 PF00067 C4_S1159 - (0)4 31 / - / - 1
20PA019634 67% 0.360 PF02776 C6_S147 - (38)10 30 / - / - 4
21PA293267 55% 0.562 PF00724 C6_S1104 - (46)12 29 / 11 / 7 5
22PA158348 70% 0.577 PF02910 C1_S156 - (48)6 27 / 1 / 3 4
23PA051937 100% 0.807 PF13442 C3_S160 - (2)8 26 / 9 / - 2
24PA327732 36% 0.550 PF00106 C2_S1103 - (78)7 25 / 3 / 1 3
25PA238236 42% 0.618 PF01070 C2_S177 - (55)10 25 / 1 / 6 4
26PA411743 100% 0.571 PF00360 C4_S132 - (0)6 24 / 2 / - 3
27PA516127 62% 0.527 PF01370 C1_S178 - (71)4 24 / - / - 2
28PA133458 62% 0.491 PF00724 C6_S197 - (41)8 23 / 10 / 5 3
29PA461527 43% 0.581 PF00175 C3_S193 - (62)7 23 / 4 / 2 3
30PA266430 52% 0.531 PF00175 C1_S1133 - (44)7 22 / 4 / 2 2
31PA339727 100% 0.592 PF00175 C4_S193 - (64)6 22 / 3 / 3 1
32PA164843 100% 0.604 PF00107 C1_S156 - (41)8 21 / 4 / 2 2
33PA406833 41% 0.565 PF01370 C1_S1120 - (108)7 21 / 3 / 2 3
34PA340724 100% 0.568 PF06438 C3_S135 - (0)10 21 / 1 / 2 4
35PA051830 100% 0.649 PF00034 C3_S167 - (0)4 19 / 4 / - 2
36PA312833 61% 0.625 PF00106 C1_S1110 - (78)7 18 / 8 / - 3
37PA255436 75% 0.548 PF00106 C1_S162 - (50)7 17 / 2 / 1 3
38PA057630 74% 0.621 PF04545 C5_S129 - (0)2 17 / - / - 0
39PA284080 50% 0.573 PF00271 C3_S1115 - (0)16 16 / 20 / 30 5
40PA164939 43% 0.531 PF00106 C1_S181 - (68)6 16 / 8 / 2 2
41PA362225 62% 0.548 PF04545 C4_S131 - (0)2 16 / 1 / 2 0
42PA466026 45% 0.527 PF03441 C3_S154 - (40)4 16 / - / 2 1
43PA087095 47% 0.605 PF00155 C1_S1151 - (112)20 15 / 22 / 59 14
44PA313993 73% 0.688 PF00155 C1_S1124 - (94)20 15 / 17 / 48 12
45PA043235 58% 0.484 PF00670 C3_S147 - (44)10 15 / 6 / 3 4
46PA295121 63% 0.577 PF00766 C3_S130 - (23)3 15 / - / - 1
47PA035059 48% 0.527 PF00186 C3_S1121 - (74)20 14 / 28 / 15 15
48PA475929 100% 0.566 PF01113 C2_S145 - (27)8 14 / 5 / 1 5
49PA428073 45% 0.549 PF08279 C6_S1109 - (93)20 13 / 32 / 13 13
50PA112550 48% 0.550 PF02146 C3_S1157 - (42)20 13 / 21 / 19 7

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