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]
1PA051021 100% 0.617 PF00590 C1_S132 - (30)3 - / 9 / - 1
2PA338511 100% 0.478 PF03869 C5_S136 - (0)2 - / - / 4 1
3PA492220 100% 0.620 PF00127 0 - (0)? - / - / - 0
4PA517239 100% 0.867 PF02729 C7_S146 - (36)12 - / 8 / 17 5
5PA36966 100% 0.401 -0 - (0)? - / - / - 0
6PA39024 100% 0.570 PF04321 6 - (6)? - / - / - 0
7PA550820 100% 0.536 PF03951 0 - (0)? - / - / - 0
8PA440746 100% 0.812 PF00091 C2_S155 - (0)10 - / 26 / 17 5
9PA071023 100% 0.502 PF00903 C1_S136 - (0)3 - / - / 3 0
10PA184420 100% 0.583 PF00274 13 - (0)2 - / - / - 0
11PA400113 100% 0.644 PF00062 C4_S126 - (0)10 - / - / 5 3
12PA527919 100% 0.596 PF00233 11 - (3)1 - / - / - 0
13PA386318 100% 0.665 PF01266 C1_S175 - (50)3 7 / - / - 2
14PA44606 100% 0.506 PF03968 0 - (0)? - / - / - 0
15PA14928 100% 0.617 PF03641 5 - (1)? - / - / - 0
16PA411743 100% 0.571 PF00360 C4_S132 - (0)6 24 / 2 / - 3
17PA370219 100% 0.619 PF00486 C3_S147 - (0)2 - / - / 3 1
18PA13079 100% 0.519 PF01380 6 - (6)? - / - / - 0
19PA352839 100% 0.603 PF00929 C1_S159 - (52)5 4 / 25 / 7 2
20PA484835 100% 0.655 PF02786 C1_S160 - (33)20 2 / 17 / 11 12
21PA321726 100% 0.675 PF00211 C3_S186 - (66)6 - / 2 / 23 2
22PA19943 100% 0.491 -C6_S13 - (0)2 - / - / 2 1
23PA11233 100% 0.530 PF00549 0 - (0)? - / - / - 0
24PA124920 100% 0.854 PF08548 0 - (0)? - / - / - 0
25PA075530 100% 0.202 PF00267 C7_S194 - (0)1 - / - / 4 0
26PA532220 100% 0.897 PF00408 C1_S117 - (15)11 - / 3 / 8 7
27PA065260 100% 0.594 PF00325 C2_S199 - (0)4 - / 13 / 29 2
28PA09717 100% 0.555 PF02575 C1_S12 - (0)1 - / - / 2 1
29PA22546 100% 0.570 PF00704 3 - (0)1 - / - / - 0
30PA461620 100% 0.498 PF03480 30 - (1)? - / - / - 0
31PA398317 100% 0.491 PF01595 C1_S121 - (0)3 - / 1 / 5 2
32PA238524 100% 0.563 PF01804 C3_S142 - (0)17 - / 2 / 14 7
33PA208624 100% 0.625 PF00561 C1_S144 - (0)6 - / - / 6 2
34PA051937 100% 0.807 PF13442 C3_S160 - (2)8 26 / 9 / - 2
35PA102415 100% 0.633 PF01070 C4_S124 - (16)2 3 / 1 / - 1
36PA054821 100% 0.602 PF00456 C1_S14 - (4)1 - / - / 1 1
37PA438814 100% 0.509 PF01243 C2_S121 - (0)1 - / - / 1 0
38PA08457 100% 0.483 PF04734 9 - (0)3 - / - / - 0
39PA102530 100% 0.209 PF00267 C11_S196 - (0)2 - / - / 4 0
40PA36113 100% 0.610 PF06720 C7_S16 - (0)1 - / - / 3 1
41PA411080 100% 0.579 PF00144 C1_S199 - (0)20 - / - / 58 32
42PA131419 100% 0.433 PF12680 20 - (0)? - / - / - 0
43PA403127 100% 0.675 PF00719 C8_S19 - (9)4 - / - / 6 2
44PA177219 100% 0.620 PF03737 C2_S126 - (0)2 - / - / 3 1
45PA101062 100% 0.651 PF00701 C7_S1101 - (97)11 - / - / 14 2
46PA333220 100% 0.421 PF12680 C4_S155 - (1)5 - / 2 / 10 1
47PA00948 100% 0.637 PF00072 C5_S14 - (0)2 - / - / 4 1
48PA18456 100% 0.604 PF04052 3 - (0)? - / - / - 0
49PA017611 100% 0.615 PF02203 0 - (0)? - / - / - 0
50PA196618 100% 0.624 PF00374 8 - (0)? - / - / - 0

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