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
2B0VUS175 88% 0.57 PF00591 C7_S1109 - (0)20 - / 32 / 38 3
3B0VUV982 66% 0.50 PF00557 C3_S194 - (0)20 - / 10 / 62 35
4B0VNV894 46% 0.54 PF00012 C2_S1113 - (0)20 9 / 51 / 16 10
5B0VV4858 52% 0.43 PF02786 C3_S161 - (29)20 1 / 20 / 21 16
6B0VMK361 81% 0.63 PF01751 C4_S171 - (0)20 10 / 35 / 11 21
7B0VRA894 54% 0.59 PF01702 C6_S1114 - (23)20 2 / 40 / 44 54
8B0VTL658 51% 0.55 PF01712 C2_S1120 - (82)20 3 / 23 / 29 11
9B0VR3436 95% 0.63 PF00905 C3_S167 - (0)20 - / - / 31 11
10B0VNL884 69% 0.73 PF01327 C4_S1122 - (25)20 - / 25 / 42 11
11B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
12B0VP3050 64% 0.51 PF01751 C3_S155 - (0)20 6 / 24 / 15 17
13B0VND289 66% 0.65 PF00155 C1_S1105 - (81)20 12 / 22 / 39 14
14B0VSM674 51% 0.57 PF00809 C3_S1100 - (37)20 - / 4 / 72 27
15B0VTZ661 58% 0.57 PF00202 C1_S1132 - (69)20 - / 14 / 55 6
16B0VKQ578 99% 0.58 PF00106 C4_S1147 - (80)20 52 / 31 / 10 3
17B0VRR047 56% 0.53 PF02786 C4_S161 - (29)20 - / 11 / 23 14
18B0VKB882 55% 0.61 PF01180 C5_S1269 - (155)20 74 / 7 / 11 0
19B0VL6999 63% 0.58 PF00303 C6_S1174 - (96)20 - / 22 / 42 8
20B0VL7026 41% 0.65 PF00186 C3_S1154 - (86)20 2 / 6 / 17 2
21B0VMX365 96% 0.65 PF00162 C9_S195 - (83)20 - / 25 / 27 8
22B0VNC325 60% 0.65 PF00724 C5_S1201 - (101)20 - / 8 / 16 1
23B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
24B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
25B0VNS626 64% 0.54 PF01274 C4_S122 - (2)20 - / - / 18 12
26B0VV7486 56% 0.52 PF00476 C3_S1298 - (176)20 45 / 36 / 11 1
27B0VMT697 60% 0.61 PF02542 C8_S1108 - (84)20 - / - / 75 8
28B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
29B0VKS836 61% 0.52 PF00933 C4_S143 - (23)20 - / - / 25 8
30B0VMU637 47% 0.59 PF01255 C6_S1128 - (41)20 - / 8 / 23 8
31B0VPR445 33% 0.45 PF04095 C6_S1189 - (8)20 - / 4 / 19 2
32B0VNZ359 59% 0.54 PF03331 C11_S197 - (0)20 - / 16 / 46 25
33B0VQ5863 55% 0.56 PF01746 C6_S164 - (22)20 1 / 39 / 18 35
34B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
35B0VL7620 61% 0.56 PF00551 C6_S1121 - (28)20 - / 13 / 6 0
36B0VTG736 55% 0.47 PF02801 C1_S134 - (5)20 - / 6 / 11 6
37B0VMS254 48% 0.51 PF00342 C6_S141 - (40)20 - / - / 38 11
38B0VMK134 48% 0.47 PF02768 C4_S137 - (0)20 - / 1 / 26 7
39B0VQN946 61% 0.68 PF00156 C1_S1131 - (74)20 - / 3 / 33 10
40B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
41B0VR0282 62% 0.60 PF00557 C2_S199 - (0)20 - / 4 / 64 32
42B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19
43B0VRB558 71% 0.48 PF01063 C7_S187 - (80)20 - / 16 / 34 2
44B0VL3349 65% 0.53 PF00709 C11_S192 - (68)20 - / 42 / 9 10
45B0VM8865 41% 0.46 PF01433 C3_S1137 - (0)20 - / 12 / 41 34
46B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
47B0VQI568 73% 0.58 PF00793 C2_S187 - (78)20 - / 3 / 46 12
48B0VT6963 51% 0.61 PF00551 C4_S1135 - (31)20 10 / 35 / 9 22
49B0VMU891 98% 0.59 PF13288 C5_S1166 - (51)20 16 / 25 / 43 26
50B0VTH761 99% 0.67 PF01467 C1_S1157 - (93)20 4 / 14 / 19 9

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