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]
1B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
2B0VKB882 55% 0.61 PF01180 C5_S1269 - (155)20 74 / 7 / 11 0
3B0VKQ578 99% 0.58 PF00106 C4_S1147 - (80)20 52 / 31 / 10 3
4B0VMS348 56% 0.56 PF16363 C1_S1123 - (111)10 46 / 6 / - 2
5B0VV7486 56% 0.52 PF00476 C3_S1298 - (176)20 45 / 36 / 11 1
6B0VSJ370 71% 0.68 PF04545 C6_S174 - (0)2 30 / - / 5 0
7B0VSK544 52% 0.54 PF02910 C1_S151 - (45)6 29 / 1 / 2 1
8B0VUU440 41% 0.65 PF02219 C11_S171 - (59)6 28 / 2 / 3 1
9B0VKM337 62% 0.38 PF02776 C8_S150 - (40)10 27 / 3 / - 3
10B0VSK941 63% 0.58 PF02852 C1_S160 - (52)4 27 / - / - 1
11B0VSN664 57% 0.64 PF17297 C6_S189 - (64)20 26 / 15 / 12 6
12B0VUY526 70% 0.59 PF00175 C4_S192 - (68)7 26 / - / 4 1
13B0VU4037 44% 0.56 PF00175 C1_S1113 - (91)5 21 / 5 / 2 1
14B0VUU538 59% 0.52 PF00670 C4_S156 - (39)14 20 / 12 / 2 0
15B0VM2937 61% 0.64 PF00106 C1_S190 - (70)10 19 / 1 / 4 2
16B0VQ3445 99% 0.61 PF01202 C3_S159 - (56)6 18 / 8 / 12 2
17B0VTF627 70% 0.60 PF07992 C1_S1154 - (135)9 18 / 2 / 5 4
18B0VR1836 55% 0.53 PF00171 C3_S160 - (0)19 17 / 3 / 8 6
19B0VMU891 98% 0.59 PF13288 C5_S1166 - (51)20 16 / 25 / 43 26
20B0VKP728 45% 0.59 PF02776 C4_S191 - (45)13 15 / 4 / 9 1
21B0VMA653 86% 0.86 PF03143 C1_S175 - (0)10 14 / 24 / 13 3
22B0VND289 66% 0.65 PF00155 C1_S1105 - (81)20 12 / 22 / 39 14
23B0VKK3114 52% 0.62 PF02569 C8_S1301 - (178)20 11 / 52 / 28 18
24B0VMK361 81% 0.63 PF01751 C4_S171 - (0)20 10 / 35 / 11 21
25B0VT6963 51% 0.61 PF00551 C4_S1135 - (31)20 10 / 35 / 9 22
26B0VTP629 41% 0.51 PF00044 C7_S137 - (34)4 10 / 13 / - 2
27B0VP5630 64% 0.47 PF06628 C8_S117 - (4)4 10 / - / 2 1
28B0VNV894 46% 0.54 PF00012 C2_S1113 - (0)20 9 / 51 / 16 10
29B0VPV219 90% 0.63 PF01175 C5_S121 - (21)2 9 / - / - 1
30B0VT3822 58% 0.49 PF00766 C3_S127 - (27)2 9 / - / - 1
31B0VLU227 70% 0.55 PF03143 C5_S183 - (0)14 8 / 12 / 6 3
32B0VNG330 67% 0.53 PF02771 C2_S147 - (45)8 8 / 7 / 2 3
33B0VKP525 84% 0.46 PF07991 C2_S140 - (0)13 8 / 3 / 7 3
34B0VM6318 53% 0.49 PF08676 C2_S125 - (0)3 8 / 1 / - 2
35B0VSN516 55% 0.43 PF02737 C1_S1105 - (75)3 8 / - / 1 1
36B0VTN224 58% 0.61 PF00106 C1_S1100 - (58)8 8 / - / - 1
37B0VQX523 77% 0.61 PF00056 C3_S136 - (26)11 7 / 11 / 2 4
38B0VNG119 49% 0.59 PF03446 C1_S141 - (24)11 7 / 6 / 3 1
39B0VRK722 43% 0.53 PF02873 C5_S153 - (38)9 7 / 5 / 1 1
40B0VQB544 47% 0.55 PF08501 C4_S164 - (58)11 7 / 4 / 26 3
41B0VTM616 64% 0.60 PF01926 C2_S131 - (0)4 7 / 2 / - 2
42B0VUQ921 98% 0.57 PF01208 C1_S117 - (12)6 7 / 1 / - 2
43B0VQ6824 61% 0.67 PF02826 C1_S177 - (31)9 7 / - / 4 2
44B0VLI118 67% 0.65 PF07992 C1_S1173 - (153)2 7 / - / - 1
45B0VLE57 54% 0.49 PF01494 C2_S152 - (30)2 7 / - / - 1
46B0VP3050 64% 0.51 PF01751 C3_S155 - (0)20 6 / 24 / 15 17
47B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
48B0VR1451 46% 0.51 PF02146 C3_S1112 - (0)20 6 / 11 / 21 8
49B0VRF265 71% 0.53 PF00291 C1_S170 - (58)16 6 / 10 / 32 7
50B0VPM964 58% 0.59 PF00291 C3_S167 - (55)16 6 / 9 / 32 8

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