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]
1PA354713 100% 0.566 PF05426 C7_S117 - (0)1 - / - / 1 1
2PA001982 100% 0.732 PF01327 C5_S1109 - (26)20 - / 25 / 44 15
3PA438814 100% 0.509 PF01243 C2_S121 - (0)1 - / - / 1 0
4PA196618 100% 0.624 PF00374 8 - (0)? - / - / - 0
5PA463118 100% 0.573 PF01370 47 - (36)? - / - / - 0
6PA008619 100% 0.629 PF00515 C6_S16 - (0)? 2 / - / - 0
7PA526711 100% 0.522 PF05638 0 - (0)? - / - / - 0
8PA297933 100% 0.503 PF02348 C1_S154 - (42)10 - / 11 / 10 4
9PA377049 100% 0.602 PF00478 C2_S173 - (50)20 - / 17 / 24 3
10PA067219 100% 0.476 PF01126 C4_S119 - (2)3 7 / - / - 1
11PA479421 100% 0.472 PF00583 C2_S164 - (14)8 - / 3 / 5 4
12PA471520 100% 0.668 PF00155 C1_S140 - (29)4 - / - / 2 2
13PA516373 100% 0.823 PF00483 C1_S153 - (13)20 - / 14 / 48 17
14PA000260 100% 0.644 PF02768 C5_S181 - (0)19 1 / 22 / 34 9
15PA15092 100% 0.560 PF01134 3 - (0)? - / - / - 0
16PA413731 100% 0.253 PF00267 C9_S1100 - (0)2 - / - / 4 0
17PA170711 100% 0.596 PF00515 C2_S125 - (0)0 - / 4 / - 0
18PA533432 100% 0.575 PF03725 C1_S119 - (0)4 - / 1 / 9 2
19PA340724 100% 0.568 PF06438 C3_S135 - (0)10 21 / 1 / 2 4
20PA537320 100% 0.536 PF00171 30 - (0)1 - / - / - 0
21PA10763 100% 0.642 PF01353 1 - (0)? - / - / - 0
22PA533221 100% 0.566 PF03372 C3_S185 - (1)1 - / - / 1 0
23PA12506 100% 0.477 PF02974 0 - (0)? - / - / - 0
24PA317020 100% 0.532 PF01979 C1_S118 - (10)7 - / 1 / 6 4
25PA440746 100% 0.812 PF00091 C2_S155 - (0)10 - / 26 / 17 5
26PA08563 100% 0.727 PF13442 23 - (0)? - / - / - 0
27PA030120 100% 0.659 PF01547 C2_S132 - (0)1 - / - / 2 1
28PA511218 100% 0.293 PF00657 C2_S18 - (0)2 - / - / 2 0
29PA504520 100% 0.525 PF00905 C2_S118 - (0)8 - / - / 5 4
30PA052713 100% 0.526 PF00325 28 - (0)? - / - / - 0
31PA324721 100% 0.573 PF02127 C5_S15 - (1)1 - / - / 1 1
32PA211332 100% 0.226 PF00267 C6_S1120 - (0)2 - / - / 4 0
33PA36966 100% 0.401 -0 - (0)? - / - / - 0
34PA45117 100% 0.527 PF03746 3 - (1)? - / - / - 0
35PA059320 100% 0.656 PF04166 C3_S120 - (4)3 - / - / 4 2
36PA179420 100% 0.552 PF03950 C2_S126 - (22)8 - / 10 / 1 5
37PA078520 100% 0.624 PF02525 C1_S1198 - (97)2 9 / - / - 1
38PA499220 100% 0.654 PF00248 33 - (25)? - / - / - 0
39PA042520 100% 0.574 PF00529 0 - (0)? - / - / - 0
40PA310118 100% 0.539 PF00114 28 - (0)? - / - / - 0
41PA06227 100% 0.453 PF04984 0 - (0)? - / - / - 0
42PA421714 100% 0.679 PF01494 C1_S156 - (30)2 3 / - / - 1
43PA448321 100% 0.492 PF01425 C2_S118 - (0)3 - / - / 3 2
44PA517239 100% 0.867 PF02729 C7_S146 - (36)12 - / 8 / 17 5
45PA489824 100% 0.311 PF00267 C8_S170 - (0)3 - / - / 2 0
46PA009115 100% 0.384 PF00959 8 - (0)1 - / - / - 0
47PA419014 100% 0.597 PF01593 C1_S196 - (61)2 1 / - / 1 1
48PA315529 100% 0.601 PF01041 C1_S193 - (0)12 1 / 6 / 7 5
49PA422120 100% 0.245 PF00593 C5_S135 - (0)1 - / - / 2 1
50PA519811 100% 0.677 PF02016 C4_S131 - (0)2 - / - / 3 2

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