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]
1PA014820 100% 0.530 PF00962 C3_S130 - (11)4 - / - / 6 2
2PA285120 100% 0.624 PF09285 1 - (0)? - / - / - 0
3PA498413 100% 0.648 PF00440 9 - (0)? - / - / - 0
4PA46618 100% 0.349 PF01389 36 - (0)2 - / - / - 0
5PA50556 100% 0.568 PF00068 1 - (0)? - / - / - 0
6PA051021 100% 0.617 PF00590 C1_S132 - (30)3 - / 9 / - 1
7PA313316 100% 0.615 PF00440 25 - (0)? - / - / - 0
8PA119520 100% 0.884 PF02274 C3_S117 - (12)12 - / - / 10 7
9PA042621 100% 0.501 PF00873 15 - (0)0 - / - / - 0
10PA32634 100% 0.565 PF04381 3 - (0)? - / - / - 0
11PA124920 100% 0.854 PF08548 0 - (0)? - / - / - 0
12PA423520 100% 0.677 PF00210 0 - (0)? - / - / - 0
13PA20213 100% 0.604 PF08273 0 - (0)? - / - / - 0
14PA115120 100% 0.802 PF01320 0 - (0)? - / - / - 0
15PA334117 100% 0.666 PF01047 C1_S128 - (0)4 - / 3 / 3 0
16PA101062 100% 0.651 PF00701 C7_S1101 - (97)11 - / - / 14 2
17PA189816 100% 0.452 PF00196 21 - (0)? - / - / - 0
18PA183619 100% 0.554 PF00440 19 - (0)? - / - / - 0
19PA286225 100% 0.484 PF00561 C1_S124 - (0)11 - / - / 11 1
20PA400639 100% 0.577 PF01467 C3_S177 - (44)20 8 / 9 / 15 5
21PA356616 100% 0.646 PF03992 15 - (0)? - / - / - 0
22PA343914 100% 0.452 PF02152 18 - (2)? - / - / - 0
23PA067219 100% 0.476 PF01126 C4_S119 - (2)3 7 / - / - 1
24PA315529 100% 0.601 PF01041 C1_S193 - (0)12 1 / 6 / 7 5
25PA353120 100% 0.601 PF00210 0 - (0)? - / - / - 0
26PA300421 100% 0.622 PF01048 C3_S129 - (11)2 - / - / 2 0
27PA548520 100% 0.648 PF01510 C4_S118 - (0)2 - / 2 / 2 1
28PA028820 100% 0.544 PF00491 3 - (1)? - / - / - 0
29PA216918 100% 0.775 PF00210 10 - (0)? - / - / - 0
30PA175620 100% 0.477 PF01507 8 - (4)? - / - / - 0
31PA463118 100% 0.573 PF01370 47 - (36)? - / - / - 0
32PA26029 100% 0.586 PF05995 C3_S116 - (9)1 - / - / 1 1
33PA161829 100% 0.486 PF03061 C1_S138 - (0)8 - / - / 13 1
34PA524327 100% 0.824 PF00490 C10_S128 - (18)13 - / - / 12 3
35PA19943 100% 0.491 -C6_S13 - (0)2 - / - / 2 1
36PA484835 100% 0.655 PF02786 C1_S160 - (33)20 2 / 17 / 11 12
37PA017611 100% 0.615 PF02203 0 - (0)? - / - / - 0
38PA161036 100% 0.603 PF07977 C8_S132 - (3)14 - / - / 17 4
39PA164843 100% 0.604 PF00107 C1_S156 - (41)8 21 / 4 / 2 2
40PA364625 100% 0.557 PF04613 C2_S143 - (17)3 - / - / 2 0
41PA175717 100% 0.702 PF00702 C2_S110 - (6)1 - / - / 1 1
42PA44825 100% 0.492 PF02686 0 - (0)? - / - / - 0
43PA283120 100% 0.595 PF02244 C4_S116 - (0)3 - / - / 2 2
44PA289020 100% 0.430 PF00378 0 - (0)? - / - / - 0
45PA53509 100% 0.575 PF00301 1 - (0)? - / - / - 0
46PA420220 100% 0.630 PF01180 C2_S192 - (55)2 4 / 6 / - 1
47PA11233 100% 0.530 PF00549 0 - (0)? - / - / - 0
48PA388517 100% 0.749 PF00782 4 - (0)? - / - / - 0
49PA024027 100% ? PF00267 C5_S1112 - (0)2 - / - / 6 0
50PA542125 100% 0.804 PF00107 C1_S1118 - (74)5 7 / - / 5 1

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