Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
UP000001741 (2017 - Acinetobacter Baumannii - ACIBS: Acinetobacter baumannii (strain SDF) [509170])

Download : Data.csv | 3D Common Core | 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]
1B0VK960 30% 0.14 PF01852 12 - (0)? - / - / - 0
2B0VK9720 42% 0.54 PF01546 8 - (0)? - / - / - 0
3B0VK9819 33% 0.48 PF12706 10 - (0)? - / - / - 0
4B0VKA118 34% 0.63 PF00326 9 - (0)? - / - / - 0
5B0VKA22 65% 0.50 PF02295 5 - (0)? - / - / - 0
6B0VKA318 18% 0.46 PF00233 13 - (0)1 - / - / - 0
7B0VKA418 74% 0.54 PF00121 6 - (1)? - / - / - 0
8B0VKA517 39% 0.52 PF02597 1 - (0)0 - / - / - 0
9B0VKA60 44% 0.28 PF05392 12 - (0)? - / - / - 0
10B0VKA720 37% 0.50 PF04545 26 - (0)0 - / - / - 0
11B0VKA811 39% 0.53 PF01206 3 - (0)? - / - / - 0
12B0VKA90 25% 0.18 PF00503 17 - (17)? - / - / - 0
13B0VKB020 68% 0.70 PF00313 C1_S133 - (0)4 1 / - / - 0
14B0VKB126 40% 0.61 PF00271 C2_S170 - (0)7 2 / - / 6 1
15B0VKB20 33% ? PF07311 9 - (0)? - / - / - 0
16B0VKB39 39% 0.57 PF00881 47 - (0)? - / - / - 0
17B0VKB420 40% 0.60 PF01210 C2_S136 - (25)4 1 / - / 1 0
18B0VKB518 54% 0.57 PF00300 22 - (0)? - / - / - 0
19B0VKB66 38% 0.29 PF05134 1 - (0)? - / - / - 0
20B0VKB72 36% 0.20 PF00708 2 - (2)? - / - / - 0
21B0VKB882 55% 0.61 PF01180 C5_S1269 - (155)20 74 / 7 / 11 0
22B0VKB90 68% 0.76 PF02801 0 - (0)? - / - / - 0
23B0VKC015 63% 0.55 PF00156 C6_S17 - (1)3 - / 1 / 6 2
24B0VKC19 28% 0.73 PF05569 6 - (0)? - / - / - 0
25B0VKC22 18% 0.42 PF03167 3 - (0)? - / - / - 0
26B0VKC333 43% 0.55 PF02826 C2_S165 - (43)16 6 / 5 / 5 4
27B0VKC47 25% 0.27 PF13181 4 - (0)? - / - / - 0
28B0VKC53 32% 0.72 PF13499 9 - (0)? - / - / - 0
29B0VKC66 78% 0.77 PF00069 3 - (0)? - / - / - 0
30B0VKC718 62% 0.58 PF00814 C2_S132 - (31)10 - / 12 / 1 5
31B0VKC82 22% 0.27 PF03587 3 - (0)? - / - / - 0
32B0VKC915 21% ? PF09336 9 - (0)? - / - / - 0
33B0VKD06 31% 0.36 PF00871 2 - (0)? - / - / - 0
34B0VKD120 36% 0.38 PF00069 59 - (18)? - / - / - 0
35B0VKD20 29% 0.16 PF00503 10 - (10)? - / - / - 0
36B0VKD40 29% 0.43 PF00098 4 - (0)? - / - / - 0
37B0VKD80 18% 0.12 PF00233 1 - (0)? - / - / - 0
38B0VKE00 48% 0.54 PF00105 15 - (0)? - / - / - 0
39B0VKE10 38% 0.13 PF07166 0 - (0)? - / - / - 0
40B0VKE30 38% 0.25 PF05001 5 - (0)? - / - / - 0
41B0VKE40 13% 0.56 PF05025 1 - (0)? - / - / - 0
42B0VKE613 30% 0.30 PF00561 18 - (1)? - / - / - 0
43B0VKE73 22% 0.34 PF00999 9 - (0)? - / - / - 0
44B0VKE90 38% 0.23 PF05001 4 - (0)? - / - / - 0
45B0VKF115 24% 0.24 PF00083 16 - (0)? - / - / - 0
46B0VKF213 18% 0.57 PF01966 8 - (0)? - / - / - 0
47B0VKF44 26% 0.27 PF11602 1 - (0)? - / - / - 0
48B0VKF80 38% 0.23 PF05001 4 - (0)? - / - / - 0
49B0VKG00 47% 0.97 PF00561 7 - (0)? - / - / - 0
50B0VKG10 40% 0.11 PF08124 3 - (0)? - / - / - 0

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