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]
50B0VV4858 52% 0.43 PF02786 C3_S161 - (29)20 1 / 20 / 21 16
51B0VRB558 71% 0.48 PF01063 C7_S187 - (80)20 - / 16 / 34 2
52B0VP8358 64% 0.58 PF00291 C3_S173 - (51)15 - / 3 / 47 2
53B0VTL658 51% 0.55 PF01712 C2_S1120 - (82)20 3 / 23 / 29 11
54B0VT5855 50% 0.60 PF00005 C1_S160 - (0)15 - / 5 / 36 7
55B0VQC054 45% 0.67 PF00271 C4_S162 - (0)15 5 / 11 / 22 6
56B0VMS254 48% 0.51 PF00342 C6_S141 - (40)20 - / - / 38 11
57B0VMA653 86% 0.86 PF03143 C1_S175 - (0)10 14 / 24 / 13 3
58B0VRF853 45% 0.67 PF00290 C1_S171 - (37)20 - / 7 / 30 16
59B0VS4753 50% 0.54 PF00348 C1_S183 - (64)19 - / - / 37 6
60B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
61B0VNY052 77% 0.60 PF00478 C1_S178 - (56)20 - / 14 / 33 5
62B0VMZ751 58% 0.68 PF03167 C7_S185 - (0)20 3 / 12 / 23 11
63B0VR1451 46% 0.51 PF02146 C3_S1112 - (0)20 6 / 11 / 21 8
64B0VP3050 64% 0.51 PF01751 C3_S155 - (0)20 6 / 24 / 15 17
65B0VRJ750 74% 0.59 PF02786 C1_S166 - (32)20 2 / 27 / 20 19
66B0VL3349 65% 0.53 PF00709 C11_S192 - (68)20 - / 42 / 9 10
67B0VQ8549 70% 0.57 PF00202 C1_S197 - (71)20 - / 5 / 25 5
68B0VQZ749 43% 0.49 PF00202 C1_S182 - (61)19 - / 7 / 23 5
69B0VT3948 69% 0.51 PF00521 C4_S1111 - (0)8 - / 3 / 29 1
70B0VMS348 56% 0.56 PF16363 C1_S1123 - (111)10 46 / 6 / - 2
71B0VRR047 56% 0.53 PF02786 C4_S161 - (29)20 - / 11 / 23 14
72B0VQN946 61% 0.68 PF00156 C1_S1131 - (74)20 - / 3 / 33 10
73B0VMT946 56% 0.59 PF02729 C10_S155 - (39)12 - / 10 / 20 5
74B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
75B0VPR445 33% 0.45 PF04095 C6_S1189 - (8)20 - / 4 / 19 2
76B0VQ3445 99% 0.61 PF01202 C3_S159 - (56)6 18 / 8 / 12 2
77B0VQK645 63% 0.54 PF06026 C4_S153 - (21)19 - / - / 26 7
78B0VMQ244 51% 0.42 PF00254 C6_S1124 - (0)18 - / 5 / 16 4
79B0VSK544 52% 0.54 PF02910 C1_S151 - (45)6 29 / 1 / 2 1
80B0VKQ344 54% 0.36 PF00005 C2_S159 - (0)11 - / - / 27 4
81B0VNZ744 100% 0.53 PF01820 C2_S1110 - (82)15 - / 19 / 15 4
82B0VQB544 47% 0.55 PF08501 C4_S164 - (58)11 7 / 4 / 26 3
83B0VTE744 50% 0.62 PF00691 C7_S136 - (0)13 - / - / 13 5
84B0VTK943 46% 0.51 PF08402 C2_S151 - (0)17 - / 12 / 15 6
85B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
86B0VU0943 73% 0.61 PF02978 C5_S180 - (0)14 3 / 16 / 16 5
87B0VU9243 64% 0.64 PF00202 C2_S1107 - (53)20 - / - / 45 5
88B0VSK643 68% 0.54 PF13085 C6_S179 - (0)19 - / - / 25 0
89B0VU0243 52% 0.47 PF03119 C8_S159 - (29)20 2 / 17 / 24 19
90B0VTC042 65% 0.60 PF00490 C6_S141 - (18)19 - / 1 / 27 2
91B0VRJ042 100% 0.60 PF00691 C5_S142 - (0)12 - / - / 17 4
92B0VLM041 54% 0.53 PF00490 C7_S144 - (18)19 - / 1 / 24 2
93B0VSK941 63% 0.58 PF02852 C1_S160 - (52)4 27 / - / - 1
94B0VQ2141 66% 0.56 PF00731 C8_S147 - (29)15 - / 1 / 28 6
95B0VMQ340 53% 0.62 PF00254 C5_S1123 - (0)20 - / 6 / 13 4
96B0VSN440 74% 0.57 PF00370 C2_S143 - (43)14 - / 4 / 20 4
97B0VUU440 41% 0.65 PF02219 C11_S171 - (59)6 28 / 2 / 3 1
98B0VUC740 73% 0.53 PF00037 C4_S171 - (0)4 - / - / 40 1
99B0VMV739 77% 0.53 PF00154 C2_S133 - (0)11 - / 19 / 8 5
100B0VQ3339 100% 0.56 PF01202 C2_S170 - (56)15 - / 3 / 21 5

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