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]
1B0VUI923 32% 0.40 PF00962 C3_S144 - (15)20 - / 2 / 19 4
2B0VTG736 55% 0.47 PF02801 C1_S134 - (5)20 - / 6 / 11 6
3B0VL7026 41% 0.65 PF00186 C3_S1154 - (86)20 2 / 6 / 17 2
4B0VQI568 73% 0.58 PF00793 C2_S187 - (78)20 - / 3 / 46 12
5B0VUV982 66% 0.50 PF00557 C3_S194 - (0)20 - / 10 / 62 35
6B0VU9243 64% 0.64 PF00202 C2_S1107 - (53)20 - / - / 45 5
7B0VTZ661 58% 0.57 PF00202 C1_S1132 - (69)20 - / 14 / 55 6
8B0VRA894 54% 0.59 PF01702 C6_S1114 - (23)20 2 / 40 / 44 54
9B0VV7486 56% 0.52 PF00476 C3_S1298 - (176)20 45 / 36 / 11 1
10B0VPR445 33% 0.45 PF04095 C6_S1189 - (8)20 - / 4 / 19 2
11B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
12B0VNL884 69% 0.73 PF01327 C4_S1122 - (25)20 - / 25 / 42 11
13B0VMZ751 58% 0.68 PF03167 C7_S185 - (0)20 3 / 12 / 23 11
14B0VP3050 64% 0.51 PF01751 C3_S155 - (0)20 6 / 24 / 15 17
15B0VNC325 60% 0.65 PF00724 C5_S1201 - (101)20 - / 8 / 16 1
16B0VTH761 99% 0.67 PF01467 C1_S1157 - (93)20 4 / 14 / 19 9
17B0VSM674 51% 0.57 PF00809 C3_S1100 - (37)20 - / 4 / 72 27
18B0VKB882 55% 0.61 PF01180 C5_S1269 - (155)20 74 / 7 / 11 0
19B0VMT697 60% 0.61 PF02542 C8_S1108 - (84)20 - / - / 75 8
20B0VRB558 71% 0.48 PF01063 C7_S187 - (80)20 - / 16 / 34 2
21B0VKK3114 52% 0.62 PF02569 C8_S1301 - (178)20 11 / 52 / 28 18
22B0VR0282 62% 0.60 PF00557 C2_S199 - (0)20 - / 4 / 64 32
23B0VQ5863 55% 0.56 PF01746 C6_S164 - (22)20 1 / 39 / 18 35
24B0VQN946 61% 0.68 PF00156 C1_S1131 - (74)20 - / 3 / 33 10
25B0VMS254 48% 0.51 PF00342 C6_S141 - (40)20 - / - / 38 11
26B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
27B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
28B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
29B0VT6963 51% 0.61 PF00551 C4_S1135 - (31)20 10 / 35 / 9 22
30B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
31B0VNV894 46% 0.54 PF00012 C2_S1113 - (0)20 9 / 51 / 16 10
32B0VMU891 98% 0.59 PF13288 C5_S1166 - (51)20 16 / 25 / 43 26
33B0VL6999 63% 0.58 PF00303 C6_S1174 - (96)20 - / 22 / 42 8
34B0VNZ359 59% 0.54 PF03331 C11_S197 - (0)20 - / 16 / 46 25
35B0VU0243 52% 0.47 PF03119 C8_S159 - (29)20 2 / 17 / 24 19
36B0VKS836 61% 0.52 PF00933 C4_S143 - (23)20 - / - / 25 8
37B0VM8865 41% 0.46 PF01433 C3_S1137 - (0)20 - / 12 / 41 34
38B0VL7620 61% 0.56 PF00551 C6_S1121 - (28)20 - / 13 / 6 0
39B0VTL658 51% 0.55 PF01712 C2_S1120 - (82)20 3 / 23 / 29 11
40B0VQ5363 64% 0.65 PF02401 C7_S1131 - (0)20 - / 2 / 75 1
41B0VNS626 64% 0.54 PF01274 C4_S122 - (2)20 - / - / 18 12
42B0VRF853 45% 0.67 PF00290 C1_S171 - (37)20 - / 7 / 30 16
43B0VKQ578 99% 0.58 PF00106 C4_S1147 - (80)20 52 / 31 / 10 3
44B0VSN664 57% 0.64 PF17297 C6_S189 - (64)20 26 / 15 / 12 6
45B0VMK361 81% 0.63 PF01751 C4_S171 - (0)20 10 / 35 / 11 21
46B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
47B0VMU637 47% 0.59 PF01255 C6_S1128 - (41)20 - / 8 / 23 8
48B0VKL523 65% 0.54 PF00291 C4_S1107 - (68)20 - / 1 / 16 1
49B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19
50B0VUS175 88% 0.57 PF00591 C7_S1109 - (0)20 - / 32 / 38 3

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