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]
1B0VPR445 33% 0.45 PF04095 C6_S1189 - (8)20 - / 4 / 19 2
2B0VNS626 64% 0.54 PF01274 C4_S122 - (2)20 - / - / 18 12
3B0VRA894 54% 0.59 PF01702 C6_S1114 - (23)20 2 / 40 / 44 54
4B0VTZ661 58% 0.57 PF00202 C1_S1132 - (69)20 - / 14 / 55 6
5B0VKK3114 52% 0.62 PF02569 C8_S1301 - (178)20 11 / 52 / 28 18
6B0VMK134 48% 0.47 PF02768 C4_S137 - (0)20 - / 1 / 26 7
7B0VU0243 52% 0.47 PF03119 C8_S159 - (29)20 2 / 17 / 24 19
8B0VL7620 61% 0.56 PF00551 C6_S1121 - (28)20 - / 13 / 6 0
9B0VMT697 60% 0.61 PF02542 C8_S1108 - (84)20 - / - / 75 8
10B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
11B0VV4858 52% 0.43 PF02786 C3_S161 - (29)20 1 / 20 / 21 16
12B0VMU637 47% 0.59 PF01255 C6_S1128 - (41)20 - / 8 / 23 8
13B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
14B0VP3050 64% 0.51 PF01751 C3_S155 - (0)20 6 / 24 / 15 17
15B0VMK361 81% 0.63 PF01751 C4_S171 - (0)20 10 / 35 / 11 21
16B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
17B0VND289 66% 0.65 PF00155 C1_S1105 - (81)20 12 / 22 / 39 14
18B0VNL884 69% 0.73 PF01327 C4_S1122 - (25)20 - / 25 / 42 11
19B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
20B0VRR047 56% 0.53 PF02786 C4_S161 - (29)20 - / 11 / 23 14
21B0VTL658 51% 0.55 PF01712 C2_S1120 - (82)20 3 / 23 / 29 11
22B0VQ5863 55% 0.56 PF01746 C6_S164 - (22)20 1 / 39 / 18 35
23B0VUS175 88% 0.57 PF00591 C7_S1109 - (0)20 - / 32 / 38 3
24B0VRF853 45% 0.67 PF00290 C1_S171 - (37)20 - / 7 / 30 16
25B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
26B0VKS836 61% 0.52 PF00933 C4_S143 - (23)20 - / - / 25 8
27B0VMS254 48% 0.51 PF00342 C6_S141 - (40)20 - / - / 38 11
28B0VR3436 95% 0.63 PF00905 C3_S167 - (0)20 - / - / 31 11
29B0VKL523 65% 0.54 PF00291 C4_S1107 - (68)20 - / 1 / 16 1
30B0VUI923 32% 0.40 PF00962 C3_S144 - (15)20 - / 2 / 19 4
31B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
32B0VTG736 55% 0.47 PF02801 C1_S134 - (5)20 - / 6 / 11 6
33B0VU9243 64% 0.64 PF00202 C2_S1107 - (53)20 - / - / 45 5
34B0VLY588 58% 0.49 PF00183 C3_S175 - (0)20 - / 19 / 53 25
35B0VV7486 56% 0.52 PF00476 C3_S1298 - (176)20 45 / 36 / 11 1
36B0VM8865 41% 0.46 PF01433 C3_S1137 - (0)20 - / 12 / 41 34
37B0VL7026 41% 0.65 PF00186 C3_S1154 - (86)20 2 / 6 / 17 2
38B0VKB882 55% 0.61 PF01180 C5_S1269 - (155)20 74 / 7 / 11 0
39B0VQI568 73% 0.58 PF00793 C2_S187 - (78)20 - / 3 / 46 12
40B0VQN946 61% 0.68 PF00156 C1_S1131 - (74)20 - / 3 / 33 10
41B0VR0282 62% 0.60 PF00557 C2_S199 - (0)20 - / 4 / 64 32
42B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
43B0VR1451 46% 0.51 PF02146 C3_S1112 - (0)20 6 / 11 / 21 8
44B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19
45B0VUV982 66% 0.50 PF00557 C3_S194 - (0)20 - / 10 / 62 35
46B0VNZ359 59% 0.54 PF03331 C11_S197 - (0)20 - / 16 / 46 25
47B0VQ5363 64% 0.65 PF02401 C7_S1131 - (0)20 - / 2 / 75 1
48B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
49B0VTH761 99% 0.67 PF01467 C1_S1157 - (93)20 4 / 14 / 19 9
50B0VSM674 51% 0.57 PF00809 C3_S1100 - (37)20 - / 4 / 72 27

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