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]
1B0VKB882 55% 0.61 PF01180 C5_S1269 - (155)20 74 / 7 / 11 0
2B0VUI923 32% 0.40 PF00962 C3_S144 - (15)20 - / 2 / 19 4
3B0VMZ751 58% 0.68 PF03167 C7_S185 - (0)20 3 / 12 / 23 11
4B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
5B0VTZ661 58% 0.57 PF00202 C1_S1132 - (69)20 - / 14 / 55 6
6B0VLY588 58% 0.49 PF00183 C3_S175 - (0)20 - / 19 / 53 25
7B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
8B0VNC325 60% 0.65 PF00724 C5_S1201 - (101)20 - / 8 / 16 1
9B0VSM674 51% 0.57 PF00809 C3_S1100 - (37)20 - / 4 / 72 27
10B0VP3050 64% 0.51 PF01751 C3_S155 - (0)20 6 / 24 / 15 17
11B0VQI568 73% 0.58 PF00793 C2_S187 - (78)20 - / 3 / 46 12
12B0VTL658 51% 0.55 PF01712 C2_S1120 - (82)20 3 / 23 / 29 11
13B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
14B0VR1451 46% 0.51 PF02146 C3_S1112 - (0)20 6 / 11 / 21 8
15B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
16B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
17B0VU9243 64% 0.64 PF00202 C2_S1107 - (53)20 - / - / 45 5
18B0VND289 66% 0.65 PF00155 C1_S1105 - (81)20 12 / 22 / 39 14
19B0VMK361 81% 0.63 PF01751 C4_S171 - (0)20 10 / 35 / 11 21
20B0VNZ359 59% 0.54 PF03331 C11_S197 - (0)20 - / 16 / 46 25
21B0VM8865 41% 0.46 PF01433 C3_S1137 - (0)20 - / 12 / 41 34
22B0VMU891 98% 0.59 PF13288 C5_S1166 - (51)20 16 / 25 / 43 26
23B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
24B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
25B0VQ5363 64% 0.65 PF02401 C7_S1131 - (0)20 - / 2 / 75 1
26B0VKS836 61% 0.52 PF00933 C4_S143 - (23)20 - / - / 25 8
27B0VTH761 99% 0.67 PF01467 C1_S1157 - (93)20 4 / 14 / 19 9
28B0VUS175 88% 0.57 PF00591 C7_S1109 - (0)20 - / 32 / 38 3
29B0VRF853 45% 0.67 PF00290 C1_S171 - (37)20 - / 7 / 30 16
30B0VR0282 62% 0.60 PF00557 C2_S199 - (0)20 - / 4 / 64 32
31B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
32B0VKL523 65% 0.54 PF00291 C4_S1107 - (68)20 - / 1 / 16 1
33B0VR3436 95% 0.63 PF00905 C3_S167 - (0)20 - / - / 31 11
34B0VU0243 52% 0.47 PF03119 C8_S159 - (29)20 2 / 17 / 24 19
35B0VNS626 64% 0.54 PF01274 C4_S122 - (2)20 - / - / 18 12
36B0VSN664 57% 0.64 PF17297 C6_S189 - (64)20 26 / 15 / 12 6
37B0VQN946 61% 0.68 PF00156 C1_S1131 - (74)20 - / 3 / 33 10
38B0VTG736 55% 0.47 PF02801 C1_S134 - (5)20 - / 6 / 11 6
39B0VRR047 56% 0.53 PF02786 C4_S161 - (29)20 - / 11 / 23 14
40B0VMK134 48% 0.47 PF02768 C4_S137 - (0)20 - / 1 / 26 7
41B0VRA894 54% 0.59 PF01702 C6_S1114 - (23)20 2 / 40 / 44 54
42B0VV4858 52% 0.43 PF02786 C3_S161 - (29)20 1 / 20 / 21 16
43B0VQ5863 55% 0.56 PF01746 C6_S164 - (22)20 1 / 39 / 18 35
44B0VV7486 56% 0.52 PF00476 C3_S1298 - (176)20 45 / 36 / 11 1
45B0VMT697 60% 0.61 PF02542 C8_S1108 - (84)20 - / - / 75 8
46B0VNL884 69% 0.73 PF01327 C4_S1122 - (25)20 - / 25 / 42 11
47B0VNV894 46% 0.54 PF00012 C2_S1113 - (0)20 9 / 51 / 16 10
48B0VKQ578 99% 0.58 PF00106 C4_S1147 - (80)20 52 / 31 / 10 3
49B0VMU637 47% 0.59 PF01255 C6_S1128 - (41)20 - / 8 / 23 8
50B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19

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