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]
1B0VKK3114 52% 0.62 PF02569 C8_S1301 - (178)20 11 / 52 / 28 18
2B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
3B0VL6999 63% 0.58 PF00303 C6_S1174 - (96)20 - / 22 / 42 8
4B0VMT697 60% 0.61 PF02542 C8_S1108 - (84)20 - / - / 75 8
5B0VNV894 46% 0.54 PF00012 C2_S1113 - (0)20 9 / 51 / 16 10
6B0VT8094 42% 0.49 PF00316 C7_S1101 - (96)11 - / 1 / 81 5
7B0VRA894 54% 0.59 PF01702 C6_S1114 - (23)20 2 / 40 / 44 54
8B0VMU891 98% 0.59 PF13288 C5_S1166 - (51)20 16 / 25 / 43 26
9B0VND289 66% 0.65 PF00155 C1_S1105 - (81)20 12 / 22 / 39 14
10B0VLY588 58% 0.49 PF00183 C3_S175 - (0)20 - / 19 / 53 25
11B0VMH286 74% 0.62 PF00543 C5_S1100 - (0)10 - / 35 / 46 3
12B0VV7486 56% 0.52 PF00476 C3_S1298 - (176)20 45 / 36 / 11 1
13B0VNL884 69% 0.73 PF01327 C4_S1122 - (25)20 - / 25 / 42 11
14B0VUV982 66% 0.50 PF00557 C3_S194 - (0)20 - / 10 / 62 35
15B0VR0282 62% 0.60 PF00557 C2_S199 - (0)20 - / 4 / 64 32
16B0VKB882 55% 0.61 PF01180 C5_S1269 - (155)20 74 / 7 / 11 0
17B0VKQ578 99% 0.58 PF00106 C4_S1147 - (80)20 52 / 31 / 10 3
18B0VLU677 47% 0.62 PF00121 C7_S165 - (40)19 - / - / 33 8
19B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
20B0VUS175 88% 0.57 PF00591 C7_S1109 - (0)20 - / 32 / 38 3
21B0VSM674 51% 0.57 PF00809 C3_S1100 - (37)20 - / 4 / 72 27
22B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
23B0VM6573 87% 0.65 PF17209 C2_S1164 - (0)16 - / 8 / 42 1
24B0VSJ370 71% 0.68 PF04545 C6_S174 - (0)2 30 / - / 5 0
25B0VNZ470 57% 0.65 PF00091 C3_S171 - (0)10 - / 17 / 38 5
26B0VQI469 67% 0.54 PF03952 C1_S153 - (44)14 - / 2 / 45 8
27B0VP9868 69% 0.55 PF00521 C6_S1125 - (0)8 - / 3 / 41 0
28B0VQI568 73% 0.58 PF00793 C2_S187 - (78)20 - / 3 / 46 12
29B0VKK567 57% 0.53 PF01288 C5_S1134 - (57)19 2 / 23 / 34 16
30B0VPX366 100% 0.64 PF00701 C3_S1112 - (101)13 - / - / 30 4
31B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
32B0VRF265 71% 0.53 PF00291 C1_S170 - (58)16 6 / 10 / 32 7
33B0VM8865 41% 0.46 PF01433 C3_S1137 - (0)20 - / 12 / 41 34
34B0VPM964 58% 0.59 PF00291 C3_S167 - (55)16 6 / 9 / 32 8
35B0VSN664 57% 0.64 PF17297 C6_S189 - (64)20 26 / 15 / 12 6
36B0VQ5863 55% 0.56 PF01746 C6_S164 - (22)20 1 / 39 / 18 35
37B0VT6963 51% 0.61 PF00551 C4_S1135 - (31)20 10 / 35 / 9 22
38B0VQ5363 64% 0.65 PF02401 C7_S1131 - (0)20 - / 2 / 75 1
39B0VLF562 99% 0.58 PF01053 C1_S192 - (40)16 - / 3 / 49 3
40B0VTH761 99% 0.67 PF01467 C1_S1157 - (93)20 4 / 14 / 19 9
41B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 4
42B0VTZ661 58% 0.57 PF00202 C1_S1132 - (69)20 - / 14 / 55 6
43B0VMK361 81% 0.63 PF01751 C4_S171 - (0)20 10 / 35 / 11 21
44B0VLZ561 70% 0.44 PF04998 C3_S195 - (0)0 - / 2 / 34 0
45B0VR8960 86% 0.56 PF00710 C9_S157 - (56)14 - / - / 36 4
46B0VLZ659 71% 0.50 PF04560 C5_S188 - (0)0 - / - / 28 0
47B0VNZ359 59% 0.54 PF03331 C11_S197 - (0)20 - / 16 / 46 25
48B0VQN159 64% 0.58 PF02978 C6_S1127 - (101)16 4 / 22 / 17 4
49B0VMM659 41% 0.48 PF08402 C1_S156 - (0)12 - / 18 / 21 7
50B0VTL658 51% 0.55 PF01712 C2_S1120 - (82)20 3 / 23 / 29 11

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