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]
1PA343914 100% 0.452 PF02152 18 - (2)? - / - / - 0
2PA179630 100% 0.571 PF02882 C7_S150 - (38)14 - / 15 / 10 4
3PA338511 100% 0.478 PF03869 C5_S136 - (0)2 - / - / 4 1
4PA400639 100% 0.577 PF01467 C3_S177 - (44)20 8 / 9 / 15 5
5PA180675 100% 0.597 PF00106 C1_S1148 - (85)20 56 / 21 / 7 11
6PA411080 100% 0.579 PF00144 C1_S199 - (0)20 - / - / 58 32
7PA441820 100% 0.594 PF00905 C1_S125 - (0)7 4 / 2 / 2 3
8PA210710 100% 0.769 PF02668 3 - (3)? - / - / - 0
9PA239821 100% 0.349 PF00593 C6_S171 - (0)1 - / - / 1 0
10PA534920 100% 0.597 PF07992 C1_S181 - (54)2 3 / - / - 1
11PA26029 100% 0.586 PF05995 C3_S116 - (9)1 - / - / 1 1
12PA339727 100% 0.592 PF00175 C4_S193 - (64)6 22 / 3 / 3 1
13PA12442 100% 0.413 PF02798 0 - (0)? - / - / - 0
14PA448321 100% 0.492 PF01425 C2_S118 - (0)3 - / - / 3 2
15PA31153 100% 0.583 PF01515 10 - (0)? - / - / - 0
16PA256730 100% 0.412 PF00196 C4_S123 - (0)5 1 / 3 / 10 2
17PA213811 100% 0.635 PF13298 C3_S116 - (0)2 - / 1 / 1 2
18PA347517 100% 0.605 PF10613 C1_S140 - (0)1 - / - / 2 0
19PA137711 100% 0.552 PF13302 C1_S1132 - (0)3 - / - / 1 0
20PA18456 100% 0.604 PF04052 3 - (0)? - / - / - 0
21PA187116 100% 0.559 PF01551 C3_S13 - (0)2 - / - / 1 1
22PA333220 100% 0.421 PF12680 C4_S155 - (1)5 - / 2 / 10 1
23PA19943 100% 0.491 -C6_S13 - (0)2 - / - / 2 1
24PA30987 100% 0.435 PF00114 0 - (0)? - / - / - 0
25PA274030 100% 0.499 PF01409 C2_S118 - (13)11 2 / 7 / 6 9
26PA422120 100% 0.245 PF00593 C5_S135 - (0)1 - / - / 2 1
27PA042717 100% 0.424 PF02321 0 - (0)? - / - / - 0
28PA400113 100% 0.644 PF00062 C4_S126 - (0)10 - / - / 5 3
29PA297722 100% 0.644 PF02873 C4_S158 - (44)9 8 / 4 / 3 3
30PA122120 100% 0.578 PF13193 C2_S156 - (30)8 2 / 5 / 1 4
31PA219620 100% 0.582 PF00440 C1_S142 - (0)? - / - / 16 0
32PA399923 100% 0.488 PF00768 C4_S130 - (0)9 - / - / 10 5
33PA037220 100% 0.560 PF05193 8 - (0)? - / - / - 0
34PA071023 100% 0.502 PF00903 C1_S136 - (0)3 - / - / 3 0
35PA283120 100% 0.595 PF02244 C4_S116 - (0)3 - / - / 2 2
36PA06231 100% 0.447 PF00337 4 - (0)? - / - / - 0
37PA33349 100% 0.824 PF00550 5 - (0)? - / - / - 0
38PA354021 100% 0.684 PF03721 C2_S129 - (18)6 1 / 3 / 2 3
39PA461620 100% 0.498 PF03480 30 - (1)? - / - / - 0
40PA498413 100% 0.648 PF00440 9 - (0)? - / - / - 0
41PA504520 100% 0.525 PF00905 C2_S118 - (0)8 - / - / 5 4
42PA008619 100% 0.629 PF00515 C6_S16 - (0)? 2 / - / - 0
43PA413515 100% 0.613 PF01047 27 - (0)? - / - / - 0
44PA448420 100% 0.488 PF02637 0 - (0)? - / - / - 0
45PA225516 100% 0.507 PF02668 32 - (20)? - / - / - 0
46PA186520 100% 0.570 PF08774 C4_S137 - (0)2 - / 5 / 5 0
47PA321726 100% 0.675 PF00211 C3_S186 - (66)6 - / 2 / 23 2
48PA423520 100% 0.677 PF00210 0 - (0)? - / - / - 0
49PA494443 100% 0.644 PF01423 C4_S132 - (0)14 - / - / 15 3
50PA313316 100% 0.615 PF00440 25 - (0)? - / - / - 0

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