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
2B0VV7486 56% 0.52 PF00476 C3_S1298 - (176)20 45 / 36 / 11 1
3B0VKB882 55% 0.61 PF01180 C5_S1269 - (155)20 74 / 7 / 11 0
4B0VS2521 42% 0.53 PF02525 C1_S1223 - (111)11 1 / 1 / 1 0
5B0VUA320 35% 0.54 PF02525 C2_S1219 - (110)3 2 / - / - 0
6B0VNC325 60% 0.65 PF00724 C5_S1201 - (101)20 - / 8 / 16 1
7B0VQ660 46% 0.07 -191 - (0)? - / - / - 0
8B0VPR445 33% 0.45 PF04095 C6_S1189 - (8)20 - / 4 / 19 2
9B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 4
10B0VPZ527 43% 0.53 PF00248 C6_S1175 - (135)18 3 / 3 / 7 1
11B0VL6999 63% 0.58 PF00303 C6_S1174 - (96)20 - / 22 / 42 8
12B0VLI118 67% 0.65 PF07992 C1_S1173 - (153)2 7 / - / - 1
13B0VRV320 46% 0.37 PF06827 C8_S1168 - (0)5 - / 6 / 1 0
14B0VMU891 98% 0.59 PF13288 C5_S1166 - (51)20 16 / 25 / 43 26
15B0VM6573 87% 0.65 PF17209 C2_S1164 - (0)16 - / 8 / 42 1
16B0VKW321 37% 0.53 PF00724 158 - (76)0 - / - / - 0
17B0VTH761 99% 0.67 PF01467 C1_S1157 - (93)20 4 / 14 / 19 9
18B0VTF627 70% 0.60 PF07992 C1_S1154 - (135)9 18 / 2 / 5 4
19B0VL7026 41% 0.65 PF00186 C3_S1154 - (86)20 2 / 6 / 17 2
20B0VP9026 47% 0.50 PF11798 C1_S1154 - (145)18 - / 5 / 29 4
21B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
22B0VKQ578 99% 0.58 PF00106 C4_S1147 - (80)20 52 / 31 / 10 3
23B0VQF319 42% 0.56 PF13419 C1_S1140 - (0)3 - / - / 2 0
24B0VM8865 41% 0.46 PF01433 C3_S1137 - (0)20 - / 12 / 41 34
25B0VT6963 51% 0.61 PF00551 C4_S1135 - (31)20 10 / 35 / 9 22
26B0VKK567 57% 0.53 PF01288 C5_S1134 - (57)19 2 / 23 / 34 16
27B0VSG416 36% 0.64 PF00106 C1_S1134 - (88)5 3 / - / - 0
28B0VTZ661 58% 0.57 PF00202 C1_S1132 - (69)20 - / 14 / 55 6
29B0VPK322 50% 0.83 PF01230 C2_S1131 - (0)9 - / - / 6 3
30B0VQ5363 64% 0.65 PF02401 C7_S1131 - (0)20 - / 2 / 75 1
31B0VQN946 61% 0.68 PF00156 C1_S1131 - (74)20 - / 3 / 33 10
32B0VMU637 47% 0.59 PF01255 C6_S1128 - (41)20 - / 8 / 23 8
33B0VSP623 46% ? PF01219 C8_S1127 - (0)12 - / - / 8 1
34B0VQN159 64% 0.58 PF02978 C6_S1127 - (101)16 4 / 22 / 17 4
35B0VNJ95 50% ? PF00137 127 - (0)? - / - / - 0
36B0VL1412 37% 0.58 PF00106 C1_S1125 - (99)3 2 / - / 1 0
37B0VP9868 69% 0.55 PF00521 C6_S1125 - (0)8 - / 3 / 41 0
38B0VVC931 43% 0.44 PF00145 C4_S1125 - (38)5 2 / 26 / 5 0
39B0VQ1518 37% 0.40 PF00209 124 - (0)? - / - / - 0
40B0VMQ244 51% 0.42 PF00254 C6_S1124 - (0)18 - / 5 / 16 4
41B0VMS348 56% 0.56 PF16363 C1_S1123 - (111)10 46 / 6 / - 2
42B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
43B0VNL884 69% 0.73 PF01327 C4_S1122 - (25)20 - / 25 / 42 11
44B0VL7620 61% 0.56 PF00551 C6_S1121 - (28)20 - / 13 / 6 0
45B0VTL658 51% 0.55 PF01712 C2_S1120 - (82)20 3 / 23 / 29 11
46B0VR4018 35% 0.45 PF08331 C5_S1116 - (0)2 - / - / 2 0
47B0VRA894 54% 0.59 PF01702 C6_S1114 - (23)20 2 / 40 / 44 54
48B0VU4037 44% 0.56 PF00175 C1_S1113 - (91)5 21 / 5 / 2 1
49B0VNV894 46% 0.54 PF00012 C2_S1113 - (0)20 9 / 51 / 16 10
50B0VR1451 46% 0.51 PF02146 C3_S1112 - (0)20 6 / 11 / 21 8

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