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]
1B0VMV424 100% 0.61 PF00132 C2_S154 - (29)10 - / 2 / 12 3
2B0VV2423 100% 0.65 PF00275 C7_S131 - (13)8 - / 2 / 7 3
3B0VV0623 100% 0.57 PF00275 C3_S120 - (14)7 3 / 2 / 6 3
4B0VTH120 100% 0.52 PF02540 C1_S133 - (32)7 - / 4 / 2 0
5B0VRQ410 100% 0.54 PF05638 0 - (0)? - / - / - 0
6B0VMV221 100% 0.51 PF04613 C2_S153 - (20)3 - / - / 1 0
7B0VKQ019 100% 0.48 PF04390 C2_S13 - (0)1 - / - / 3 0
8B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
9B0VNZ744 100% 0.53 PF01820 C2_S1110 - (82)15 - / 19 / 15 4
10B0VPX366 100% 0.64 PF00701 C3_S1112 - (101)13 - / - / 30 4
11B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
12B0VUG222 100% 0.60 PF00486 C2_S117 - (0)2 - / - / 2 0
13B0VRJ042 100% 0.60 PF00691 C5_S142 - (0)12 - / - / 17 4
14B0VUF516 100% 0.59 PF01287 2 - (0)? - / - / - 0
15B0VPX219 100% 0.58 PF00857 C5_S124 - (0)3 - / - / 6 1
16B0VKQ718 100% 0.59 PF00929 14 - (10)? - / - / - 0
17B0VQ3339 100% 0.56 PF01202 C2_S170 - (56)15 - / 3 / 21 5
18B0VPN220 99% 0.53 PF01264 3 - (0)? - / - / - 0
19B0VPT820 99% 0.56 PF02769 C3_S147 - (0)9 - / - / 12 5
20B0VTX228 99% 0.56 PF01195 C4_S124 - (0)13 - / 1 / 10 6
21B0VPA320 99% 0.35 PF03573 56 - (0)2 - / - / - 0
22B0VT648 99% 0.55 PF03279 C3_S125 - (7)2 - / - / 5 1
23B0VT8122 99% 0.65 PF00691 C4_S110 - (0)4 - / - / 3 2
24B0VKQ578 99% 0.58 PF00106 C4_S1147 - (80)20 52 / 31 / 10 3
25B0VR9419 99% 0.60 PF01220 C5_S130 - (0)1 - / - / 1 0
26B0VPT625 99% 0.57 PF12804 C3_S171 - (37)12 - / - / 13 1
27B0VLF562 99% 0.58 PF01053 C1_S192 - (40)16 - / 3 / 49 3
28B0VT574 99% 0.58 PF04014 1 - (0)? - / - / - 0
29B0VQ3445 99% 0.61 PF01202 C3_S159 - (56)6 18 / 8 / 12 2
30B0VU2920 99% 0.57 PF01588 C1_S125 - (8)6 - / - / 5 2
31B0VMN920 99% 0.52 PF01323 C2_S133 - (0)5 - / - / 2 0
32B0VSR220 99% 0.64 PF00561 C1_S133 - (12)1 2 / - / - 1
33B0VTH761 99% 0.67 PF01467 C1_S1157 - (93)20 4 / 14 / 19 9
34B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
35B0VKR722 99% 0.55 PF03129 C2_S121 - (8)6 - / 4 / 2 3
36B0VSR420 99% 0.24 PF00593 48 - (0)? - / - / - 0
37B0VLV914 99% 0.58 PF02622 0 - (0)? - / - / - 0
38B0VMG021 99% 0.58 PF01676 C3_S120 - (14)4 - / 5 / 9 2
39B0VRN817 99% 0.67 PF12796 15 - (0)? - / - / - 0
40B0VN3912 99% ? PF06026 7 - (0)? - / - / - 0
41B0VMX524 99% 0.61 PF01116 C5_S123 - (15)11 - / 3 / 17 5
42B0VQB618 99% 0.52 PF01218 21 - (0)2 - / - / - 0
43B0VTK79 99% ? PF01389 15 - (0)2 - / - / - 0
44B0VPG320 98% 0.58 PF08245 C1_S151 - (26)11 - / 6 / 2 0
45B0VMU891 98% 0.59 PF13288 C5_S1166 - (51)20 16 / 25 / 43 26
46B0VV663 98% 0.64 PF01532 0 - (0)? - / - / - 0
47B0VMY520 98% ? PF00005 C2_S180 - (78)9 - / 3 / 1 0
48B0VNC215 98% 0.69 PF00534 23 - (14)0 - / - / - 0
49B0VT3022 98% 0.55 PF01678 C4_S111 - (4)6 - / - / 6 4
50B0VTY020 98% 0.67 PF08543 C4_S133 - (23)5 - / - / 4 1

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