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]
1B0VRQ410 100% 0.54 PF05638 0 - (0)? - / - / - 0
2B0VPX219 100% 0.58 PF00857 C5_S124 - (0)3 - / - / 6 1
3B0VTH120 100% 0.52 PF02540 C1_S133 - (32)7 - / 4 / 2 0
4B0VRJ042 100% 0.60 PF00691 C5_S142 - (0)12 - / - / 17 4
5B0VUG222 100% 0.60 PF00486 C2_S117 - (0)2 - / - / 2 0
6B0VMV424 100% 0.61 PF00132 C2_S154 - (29)10 - / 2 / 12 3
7B0VV0623 100% 0.57 PF00275 C3_S120 - (14)7 3 / 2 / 6 3
8B0VQ3339 100% 0.56 PF01202 C2_S170 - (56)15 - / 3 / 21 5
9B0VUF516 100% 0.59 PF01287 2 - (0)? - / - / - 0
10B0VV2423 100% 0.65 PF00275 C7_S131 - (13)8 - / 2 / 7 3
11B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
12B0VNZ744 100% 0.53 PF01820 C2_S1110 - (82)15 - / 19 / 15 4
13B0VKQ019 100% 0.48 PF04390 C2_S13 - (0)1 - / - / 3 0
14B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
15B0VKQ718 100% 0.59 PF00929 14 - (10)? - / - / - 0
16B0VMV221 100% 0.51 PF04613 C2_S153 - (20)3 - / - / 1 0
17B0VPX366 100% 0.64 PF00701 C3_S1112 - (101)13 - / - / 30 4
18B0VPA320 99% 0.35 PF03573 56 - (0)2 - / - / - 0
19B0VRN817 99% 0.67 PF12796 15 - (0)? - / - / - 0
20B0VR9419 99% 0.60 PF01220 C5_S130 - (0)1 - / - / 1 0
21B0VTH761 99% 0.67 PF01467 C1_S1157 - (93)20 4 / 14 / 19 9
22B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
23B0VT8122 99% 0.65 PF00691 C4_S110 - (0)4 - / - / 3 2
24B0VPN220 99% 0.53 PF01264 3 - (0)? - / - / - 0
25B0VKQ578 99% 0.58 PF00106 C4_S1147 - (80)20 52 / 31 / 10 3
26B0VTK79 99% ? PF01389 15 - (0)2 - / - / - 0
27B0VKR722 99% 0.55 PF03129 C2_S121 - (8)6 - / 4 / 2 3
28B0VQB618 99% 0.52 PF01218 21 - (0)2 - / - / - 0
29B0VSR220 99% 0.64 PF00561 C1_S133 - (12)1 2 / - / - 1
30B0VPT820 99% 0.56 PF02769 C3_S147 - (0)9 - / - / 12 5
31B0VPT625 99% 0.57 PF12804 C3_S171 - (37)12 - / - / 13 1
32B0VTX228 99% 0.56 PF01195 C4_S124 - (0)13 - / 1 / 10 6
33B0VLV914 99% 0.58 PF02622 0 - (0)? - / - / - 0
34B0VU2920 99% 0.57 PF01588 C1_S125 - (8)6 - / - / 5 2
35B0VSR420 99% 0.24 PF00593 48 - (0)? - / - / - 0
36B0VMG021 99% 0.58 PF01676 C3_S120 - (14)4 - / 5 / 9 2
37B0VT574 99% 0.58 PF04014 1 - (0)? - / - / - 0
38B0VQ3445 99% 0.61 PF01202 C3_S159 - (56)6 18 / 8 / 12 2
39B0VLF562 99% 0.58 PF01053 C1_S192 - (40)16 - / 3 / 49 3
40B0VMN920 99% 0.52 PF01323 C2_S133 - (0)5 - / - / 2 0
41B0VMX524 99% 0.61 PF01116 C5_S123 - (15)11 - / 3 / 17 5
42B0VT648 99% 0.55 PF03279 C3_S125 - (7)2 - / - / 5 1
43B0VN3912 99% ? PF06026 7 - (0)? - / - / - 0
44B0VMG919 98% 0.56 PF01872 C3_S138 - (0)2 - / - / 2 0
45B0VNC215 98% 0.69 PF00534 23 - (14)0 - / - / - 0
46B0VTY020 98% 0.67 PF08543 C4_S133 - (23)5 - / - / 4 1
47B0VPG320 98% 0.58 PF08245 C1_S151 - (26)11 - / 6 / 2 0
48B0VMY520 98% ? PF00005 C2_S180 - (78)9 - / 3 / 1 0
49B0VUQ921 98% 0.57 PF01208 C1_S117 - (12)6 7 / 1 / - 2
50B0VT3022 98% 0.55 PF01678 C4_S111 - (4)6 - / - / 6 4

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