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]
1B0VL6999 63% 0.58 PF00303 C6_S1174 - (96)20 - / 22 / 42 8
2B0VNL884 69% 0.73 PF01327 C4_S1122 - (25)20 - / 25 / 42 11
3B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19
4B0VQ5363 64% 0.65 PF02401 C7_S1131 - (0)20 - / 2 / 75 1
5B0VMZ751 58% 0.68 PF03167 C7_S185 - (0)20 3 / 12 / 23 11
6B0VMT697 60% 0.61 PF02542 C8_S1108 - (84)20 - / - / 75 8
7B0VV4858 52% 0.43 PF02786 C3_S161 - (29)20 1 / 20 / 21 16
8B0VR0282 62% 0.60 PF00557 C2_S199 - (0)20 - / 4 / 64 32
9B0VMU891 98% 0.59 PF13288 C5_S1166 - (51)20 16 / 25 / 43 26
10B0VTL658 51% 0.55 PF01712 C2_S1120 - (82)20 3 / 23 / 29 11
11B0VV7486 56% 0.52 PF00476 C3_S1298 - (176)20 45 / 36 / 11 1
12B0VMS254 48% 0.51 PF00342 C6_S141 - (40)20 - / - / 38 11
13B0VTZ661 58% 0.57 PF00202 C1_S1132 - (69)20 - / 14 / 55 6
14B0VPR445 33% 0.45 PF04095 C6_S1189 - (8)20 - / 4 / 19 2
15B0VSM674 51% 0.57 PF00809 C3_S1100 - (37)20 - / 4 / 72 27
16B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
17B0VMK134 48% 0.47 PF02768 C4_S137 - (0)20 - / 1 / 26 7
18B0VRR047 56% 0.53 PF02786 C4_S161 - (29)20 - / 11 / 23 14
19B0VQ5863 55% 0.56 PF01746 C6_S164 - (22)20 1 / 39 / 18 35
20B0VNZ359 59% 0.54 PF03331 C11_S197 - (0)20 - / 16 / 46 25
21B0VR3436 95% 0.63 PF00905 C3_S167 - (0)20 - / - / 31 11
22B0VRB558 71% 0.48 PF01063 C7_S187 - (80)20 - / 16 / 34 2
23B0VND289 66% 0.65 PF00155 C1_S1105 - (81)20 12 / 22 / 39 14
24B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
25B0VLY588 58% 0.49 PF00183 C3_S175 - (0)20 - / 19 / 53 25
26B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
27B0VP3050 64% 0.51 PF01751 C3_S155 - (0)20 6 / 24 / 15 17
28B0VL7620 61% 0.56 PF00551 C6_S1121 - (28)20 - / 13 / 6 0
29B0VTG736 55% 0.47 PF02801 C1_S134 - (5)20 - / 6 / 11 6
30B0VQI568 73% 0.58 PF00793 C2_S187 - (78)20 - / 3 / 46 12
31B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
32B0VSN664 57% 0.64 PF17297 C6_S189 - (64)20 26 / 15 / 12 6
33B0VKB882 55% 0.61 PF01180 C5_S1269 - (155)20 74 / 7 / 11 0
34B0VRA894 54% 0.59 PF01702 C6_S1114 - (23)20 2 / 40 / 44 54
35B0VUV982 66% 0.50 PF00557 C3_S194 - (0)20 - / 10 / 62 35
36B0VQN946 61% 0.68 PF00156 C1_S1131 - (74)20 - / 3 / 33 10
37B0VKQ578 99% 0.58 PF00106 C4_S1147 - (80)20 52 / 31 / 10 3
38B0VL7026 41% 0.65 PF00186 C3_S1154 - (86)20 2 / 6 / 17 2
39B0VRF853 45% 0.67 PF00290 C1_S171 - (37)20 - / 7 / 30 16
40B0VKL523 65% 0.54 PF00291 C4_S1107 - (68)20 - / 1 / 16 1
41B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
42B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
43B0VNC325 60% 0.65 PF00724 C5_S1201 - (101)20 - / 8 / 16 1
44B0VMK361 81% 0.63 PF01751 C4_S171 - (0)20 10 / 35 / 11 21
45B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
46B0VNV894 46% 0.54 PF00012 C2_S1113 - (0)20 9 / 51 / 16 10
47B0VTH761 99% 0.67 PF01467 C1_S1157 - (93)20 4 / 14 / 19 9
48B0VT6963 51% 0.61 PF00551 C4_S1135 - (31)20 10 / 35 / 9 22
49B0VMU637 47% 0.59 PF01255 C6_S1128 - (41)20 - / 8 / 23 8
50B0VR1451 46% 0.51 PF02146 C3_S1112 - (0)20 6 / 11 / 21 8

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