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]
1B0VNN15 41% 1.21 PF00382 0 - (0)? - / - / - 0
2B0VP750 36% 1.15 PF02171 2 - (0)? - / - / - 0
3B0VU190 31% 1.11 PF00567 2 - (0)? - / - / - 0
4B0VQ730 40% 1.05 PF01255 0 - (0)? - / - / - 0
5B0VS802 39% 1.00 PF01751 2 - (0)? - / - / - 0
6B0VR230 39% 0.97 PF01458 2 - (0)? - / - / - 0
7B0VKG00 47% 0.97 PF00561 7 - (0)? - / - / - 0
8B0VQI80 47% 0.97 PF03070 13 - (2)? - / - / - 0
9B0VTU40 58% 0.96 PF00196 4 - (0)? - / - / - 0
10B0VS960 43% 0.93 PF00221 1 - (0)? - / - / - 0
11B0VM480 40% 0.91 PF09096 1 - (0)? - / - / - 0
12B0VVA70 60% 0.91 PF01261 3 - (0)? - / - / - 0
13B0VTV50 27% 0.91 PF00275 9 - (0)? - / - / - 0
14B0VUT50 38% 0.90 PF00796 0 - (0)? - / - / - 0
15B0VKR015 54% 0.90 PF00462 12 - (0)? - / - / - 0
16B0VVE19 34% 0.89 PF04221 6 - (0)? - / - / - 0
17B0VNU212 59% 0.87 PF01649 1 - (0)? - / - / - 0
18B0VN030 41% 0.87 PF02151 2 - (2)? - / - / - 0
19B0VPV120 79% 0.87 PF00221 C5_S18 - (0)4 - / - / 3 0
20B0VMA653 86% 0.86 PF03143 C1_S175 - (0)10 14 / 24 / 13 3
21B0VQ486 49% 0.86 PF03770 8 - (1)? - / - / - 0
22B0VR3115 39% 0.86 PF03604 0 - (0)? - / - / - 0
23B0VV8027 56% 0.85 PF00085 C2_S159 - (0)9 - / - / 6 0
24B0VKH11 60% 0.85 PF00990 2 - (0)? - / - / - 0
25B0VSZ43 45% 0.84 PF00717 22 - (0)? - / - / - 0
26B0VUZ81 30% 0.84 PF00392 0 - (0)? - / - / - 0
27B0VPK322 50% 0.83 PF01230 C2_S1131 - (0)9 - / - / 6 3
28B0VNY60 34% 0.83 PF07690 0 - (0)? - / - / - 0
29B0VKG415 40% 0.83 PF00717 10 - (0)? - / - / - 0
30B0VPA00 44% 0.82 PF02932 0 - (0)? - / - / - 0
31B0VM5015 81% 0.82 PF00694 7 - (2)4 - / - / - 0
32B0VU170 25% 0.82 PF04552 2 - (0)? - / - / - 0
33B0VMC34 50% 0.82 PF00816 C2_S16 - (0)1 - / - / 3 0
34B0VP620 56% 0.81 PF11576 2 - (0)? - / - / - 0
35B0VQS66 54% 0.81 PF00831 0 - (0)? - / - / - 0
36B0VL850 42% 0.80 PF00076 57 - (0)? - / - / - 0
37B0VU210 43% 0.80 PF01833 4 - (4)? - / - / - 0
38B0VQI70 33% 0.80 PF00102 4 - (0)? - / - / - 0
39B0VMR90 37% 0.79 -3 - (0)? - / - / - 0
40B0VVC00 48% 0.79 PF01145 7 - (0)? - / - / - 0
41B0VKX420 80% 0.79 PF00764 C3_S125 - (22)8 - / 1 / 4 2
42B0VUL56 44% 0.79 PF14765 9 - (0)? - / - / - 0
43B0VNS40 38% 0.79 PF00197 1 - (0)? - / - / - 0
44B0VKY60 36% 0.78 PF04716 4 - (0)? - / - / - 0
45B0VMP30 45% 0.78 PF00487 1 - (0)? - / - / - 0
46B0VQ780 37% 0.78 PF00436 4 - (0)? - / - / - 0
47B0VSB920 75% 0.78 PF01979 C2_S17 - (4)2 - / - / 3 0
48B0VTT53 40% 0.78 PF05367 0 - (0)? - / - / - 0
49B0VNN60 35% 0.78 PF02686 1 - (0)? - / - / - 0
50B0VQT416 58% 0.78 PF00861 0 - (0)? - / - / - 0

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