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]
1B0VTG736 55% 0.47 PF02801 C1_S134 - (5)20 - / 6 / 11 6
2B0VR1451 46% 0.51 PF02146 C3_S1112 - (0)20 6 / 11 / 21 8
3B0VTH761 99% 0.67 PF01467 C1_S1157 - (93)20 4 / 14 / 19 9
4B0VMZ751 58% 0.68 PF03167 C7_S185 - (0)20 3 / 12 / 23 11
5B0VMU637 47% 0.59 PF01255 C6_S1128 - (41)20 - / 8 / 23 8
6B0VSM674 51% 0.57 PF00809 C3_S1100 - (37)20 - / 4 / 72 27
7B0VRF853 45% 0.67 PF00290 C1_S171 - (37)20 - / 7 / 30 16
8B0VMT697 60% 0.61 PF02542 C8_S1108 - (84)20 - / - / 75 8
9B0VUI923 32% 0.40 PF00962 C3_S144 - (15)20 - / 2 / 19 4
10B0VNZ359 59% 0.54 PF03331 C11_S197 - (0)20 - / 16 / 46 25
11B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
12B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
13B0VMS254 48% 0.51 PF00342 C6_S141 - (40)20 - / - / 38 11
14B0VQI568 73% 0.58 PF00793 C2_S187 - (78)20 - / 3 / 46 12
15B0VRA894 54% 0.59 PF01702 C6_S1114 - (23)20 2 / 40 / 44 54
16B0VQN946 61% 0.68 PF00156 C1_S1131 - (74)20 - / 3 / 33 10
17B0VKQ578 99% 0.58 PF00106 C4_S1147 - (80)20 52 / 31 / 10 3
18B0VR0282 62% 0.60 PF00557 C2_S199 - (0)20 - / 4 / 64 32
19B0VNS626 64% 0.54 PF01274 C4_S122 - (2)20 - / - / 18 12
20B0VT6963 51% 0.61 PF00551 C4_S1135 - (31)20 10 / 35 / 9 22
21B0VL6999 63% 0.58 PF00303 C6_S1174 - (96)20 - / 22 / 42 8
22B0VR3436 95% 0.63 PF00905 C3_S167 - (0)20 - / - / 31 11
23B0VV4858 52% 0.43 PF02786 C3_S161 - (29)20 1 / 20 / 21 16
24B0VQ5863 55% 0.56 PF01746 C6_S164 - (22)20 1 / 39 / 18 35
25B0VMK134 48% 0.47 PF02768 C4_S137 - (0)20 - / 1 / 26 7
26B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
27B0VUV982 66% 0.50 PF00557 C3_S194 - (0)20 - / 10 / 62 35
28B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
29B0VV7486 56% 0.52 PF00476 C3_S1298 - (176)20 45 / 36 / 11 1
30B0VNV894 46% 0.54 PF00012 C2_S1113 - (0)20 9 / 51 / 16 10
31B0VND289 66% 0.65 PF00155 C1_S1105 - (81)20 12 / 22 / 39 14
32B0VKK3114 52% 0.62 PF02569 C8_S1301 - (178)20 11 / 52 / 28 18
33B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19
34B0VL7620 61% 0.56 PF00551 C6_S1121 - (28)20 - / 13 / 6 0
35B0VSN664 57% 0.64 PF17297 C6_S189 - (64)20 26 / 15 / 12 6
36B0VUS175 88% 0.57 PF00591 C7_S1109 - (0)20 - / 32 / 38 3
37B0VQ5363 64% 0.65 PF02401 C7_S1131 - (0)20 - / 2 / 75 1
38B0VLY588 58% 0.49 PF00183 C3_S175 - (0)20 - / 19 / 53 25
39B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
40B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
41B0VRR047 56% 0.53 PF02786 C4_S161 - (29)20 - / 11 / 23 14
42B0VMK361 81% 0.63 PF01751 C4_S171 - (0)20 10 / 35 / 11 21
43B0VKB882 55% 0.61 PF01180 C5_S1269 - (155)20 74 / 7 / 11 0
44B0VRB558 71% 0.48 PF01063 C7_S187 - (80)20 - / 16 / 34 2
45B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
46B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
47B0VNL884 69% 0.73 PF01327 C4_S1122 - (25)20 - / 25 / 42 11
48B0VL7026 41% 0.65 PF00186 C3_S1154 - (86)20 2 / 6 / 17 2
49B0VNC325 60% 0.65 PF00724 C5_S1201 - (101)20 - / 8 / 16 1
50B0VTL658 51% 0.55 PF01712 C2_S1120 - (82)20 3 / 23 / 29 11

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