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]
1PA441220 100% 0.633 PF03033 C2_S125 - (13)5 - / 3 / 2 2
2PA075530 100% 0.202 PF00267 C7_S194 - (0)1 - / - / 4 0
3PA458737 100% 0.512 PF00034 C2_S149 - (38)6 34 / 2 / 1 2
4PA463118 100% 0.573 PF01370 47 - (36)? - / - / - 0
5PA503420 100% 0.599 PF01208 C6_S116 - (10)6 7 / 1 / - 2
6PA44825 100% 0.492 PF02686 0 - (0)? - / - / - 0
7PA366620 100% 0.507 PF14602 C2_S127 - (11)2 - / - / 1 1
8PA494443 100% 0.644 PF01423 C4_S132 - (0)14 - / - / 15 3
9PA196618 100% 0.624 PF00374 8 - (0)? - / - / - 0
10PA137520 100% 0.625 PF02826 C4_S142 - (34)2 4 / - / - 1
11PA339727 100% 0.592 PF00175 C4_S193 - (64)6 22 / 3 / 3 1
12PA550820 100% 0.536 PF03951 0 - (0)? - / - / - 0
13PA377049 100% 0.602 PF00478 C2_S173 - (50)20 - / 17 / 24 3
14PA369914 100% 0.701 PF00440 25 - (0)? - / - / - 0
15PA364625 100% 0.557 PF04613 C2_S143 - (17)3 - / - / 2 0
16PA115120 100% 0.802 PF01320 0 - (0)? - / - / - 0
17PA296254 100% 0.561 PF01712 C2_S184 - (46)20 3 / 36 / 12 21
18PA164843 100% 0.604 PF00107 C1_S156 - (41)8 21 / 4 / 2 2
19PA042621 100% 0.501 PF00873 15 - (0)0 - / - / - 0
20PA099921 100% 0.522 PF08541 C1_S131 - (18)5 - / 6 / 2 2
21PA408520 100% 0.653 PF00345 9 - (0)1 - / - / - 0
22PA423520 100% 0.677 PF00210 0 - (0)? - / - / - 0
23PA526711 100% 0.522 PF05638 0 - (0)? - / - / - 0
24PA013220 100% 0.608 PF00202 C1_S118 - (12)? - / - / 1 0
25PA510620 100% 0.629 PF01979 C1_S117 - (5)5 - / - / 6 2
26PA071023 100% 0.502 PF00903 C1_S136 - (0)3 - / - / 3 0
27PA356616 100% 0.646 PF03992 15 - (0)? - / - / - 0
28PA117811 100% 0.192 PF01389 33 - (0)? - / - / - 0
29PA52274 100% 0.445 PF05164 3 - (0)? - / - / - 0
30PA37192 100% 0.553 PF05400 0 - (0)? - / - / - 0
31PA310118 100% 0.539 PF00114 28 - (0)? - / - / - 0
32PA198225 100% 0.654 PF01011 C2_S141 - (24)2 - / 10 / - 1
33PA116714 100% 0.475 PF00251 C1_S16 - (0)1 - / - / 1 1
34PA46618 100% 0.349 PF01389 36 - (0)2 - / - / - 0
35PA529218 100% 0.655 PF00702 6 - (0)? - / - / - 0
36PA190217 100% 0.787 PF00857 C5_S124 - (0)4 - / 3 / - 2
37PA090513 100% 0.417 PF02599 C5_S125 - (0)2 - / 3 / 1 0
38PA029130 100% 0.353 PF00267 C5_S192 - (0)2 - / - / 3 0
39PA296547 100% 0.534 PF02801 C3_S154 - (5)20 - / 7 / 16 9
40PA112920 100% 0.529 PF12681 C3_S154 - (0)4 - / - / 4 2
41PA067219 100% 0.476 PF01126 C4_S119 - (2)3 7 / - / - 1
42PA030120 100% 0.659 PF01547 C2_S132 - (0)1 - / - / 2 1
43PA16455 100% 0.509 PF01753 0 - (0)? - / - / - 0
44PA399923 100% 0.488 PF00768 C4_S130 - (0)9 - / - / 10 5
45PA17197 100% 0.717 PF09392 6 - (0)? - / - / - 0
46PA131419 100% 0.433 PF12680 20 - (0)? - / - / - 0
47PA13079 100% 0.519 PF01380 6 - (6)? - / - / - 0
48PA19943 100% 0.491 -C6_S13 - (0)2 - / - / 2 1
49PA327914 100% 0.361 PF00267 2 - (0)? - / - / - 0
50PA525915 100% 0.668 PF02602 5 - (0)? - / - / - 0

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