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]
1B0VRA894 54% 0.59 PF01702 C6_S1114 - (23)20 2 / 40 / 44 54
2B0VQ5863 55% 0.56 PF01746 C6_S164 - (22)20 1 / 39 / 18 35
3B0VUV982 66% 0.50 PF00557 C3_S194 - (0)20 - / 10 / 62 35
4B0VM8865 41% 0.46 PF01433 C3_S1137 - (0)20 - / 12 / 41 34
5B0VR0282 62% 0.60 PF00557 C2_S199 - (0)20 - / 4 / 64 32
6B0VSM674 51% 0.57 PF00809 C3_S1100 - (37)20 - / 4 / 72 27
7B0VMU891 98% 0.59 PF13288 C5_S1166 - (51)20 16 / 25 / 43 26
8B0VNZ359 59% 0.54 PF03331 C11_S197 - (0)20 - / 16 / 46 25
9B0VLY588 58% 0.49 PF00183 C3_S175 - (0)20 - / 19 / 53 25
10B0VT6963 51% 0.61 PF00551 C4_S1135 - (31)20 10 / 35 / 9 22
11B0VMK361 81% 0.63 PF01751 C4_S171 - (0)20 10 / 35 / 11 21
12B0VU0243 52% 0.47 PF03119 C8_S159 - (29)20 2 / 17 / 24 19
13B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19
14B0VKK3114 52% 0.62 PF02569 C8_S1301 - (178)20 11 / 52 / 28 18
15B0VP3050 64% 0.51 PF01751 C3_S155 - (0)20 6 / 24 / 15 17
16B0VKK567 57% 0.53 PF01288 C5_S1134 - (57)19 2 / 23 / 34 16
17B0VV4858 52% 0.43 PF02786 C3_S161 - (29)20 1 / 20 / 21 16
18B0VRF853 45% 0.67 PF00290 C1_S171 - (37)20 - / 7 / 30 16
19B0VND289 66% 0.65 PF00155 C1_S1105 - (81)20 12 / 22 / 39 14
20B0VRR047 56% 0.53 PF02786 C4_S161 - (29)20 - / 11 / 23 14
21B0VQI568 73% 0.58 PF00793 C2_S187 - (78)20 - / 3 / 46 12
22B0VNS626 64% 0.54 PF01274 C4_S122 - (2)20 - / - / 18 12
23B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
24B0VR3436 95% 0.63 PF00905 C3_S167 - (0)20 - / - / 31 11
25B0VMZ751 58% 0.68 PF03167 C7_S185 - (0)20 3 / 12 / 23 11
26B0VTL658 51% 0.55 PF01712 C2_S1120 - (82)20 3 / 23 / 29 11
27B0VMS254 48% 0.51 PF00342 C6_S141 - (40)20 - / - / 38 11
28B0VNL884 69% 0.73 PF01327 C4_S1122 - (25)20 - / 25 / 42 11
29B0VQN946 61% 0.68 PF00156 C1_S1131 - (74)20 - / 3 / 33 10
30B0VNV894 46% 0.54 PF00012 C2_S1113 - (0)20 9 / 51 / 16 10
31B0VL3349 65% 0.53 PF00709 C11_S192 - (68)20 - / 42 / 9 10
32B0VV8539 65% 0.36 PF01409 C1_S133 - (20)13 2 / 5 / 13 9
33B0VTH761 99% 0.67 PF01467 C1_S1157 - (93)20 4 / 14 / 19 9
34B0VLU677 47% 0.62 PF00121 C7_S165 - (40)19 - / - / 33 8
35B0VR1451 46% 0.51 PF02146 C3_S1112 - (0)20 6 / 11 / 21 8
36B0VL6999 63% 0.58 PF00303 C6_S1174 - (96)20 - / 22 / 42 8
37B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
38B0VKS836 61% 0.52 PF00933 C4_S143 - (23)20 - / - / 25 8
39B0VQI469 67% 0.54 PF03952 C1_S153 - (44)14 - / 2 / 45 8
40B0VPM964 58% 0.59 PF00291 C3_S167 - (55)16 6 / 9 / 32 8
41B0VMU637 47% 0.59 PF01255 C6_S1128 - (41)20 - / 8 / 23 8
42B0VMT697 60% 0.61 PF02542 C8_S1108 - (84)20 - / - / 75 8
43B0VRF265 71% 0.53 PF00291 C1_S170 - (58)16 6 / 10 / 32 7
44B0VMM659 41% 0.48 PF08402 C1_S156 - (0)12 - / 18 / 21 7
45B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
46B0VME539 49% 0.68 PF07670 C4_S162 - (0)13 5 / 17 / 9 7
47B0VTE420 33% 0.58 PF00408 C1_S119 - (17)12 - / - / 12 7
48B0VKJ428 65% 0.55 PF07973 C1_S131 - (9)15 4 / 13 / 4 7
49B0VQK645 63% 0.54 PF06026 C4_S153 - (21)19 - / - / 26 7
50B0VMK134 48% 0.47 PF02768 C4_S137 - (0)20 - / 1 / 26 7

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