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]
50B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
51B0VTY321 58% 0.61 PF00106 C1_S161 - (0)20 - / - / 20 0
52B0VU0243 52% 0.47 PF03119 C8_S159 - (29)20 2 / 17 / 24 19
53B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
54B0VR1451 46% 0.51 PF02146 C3_S1112 - (0)20 6 / 11 / 21 8
55B0VQI568 73% 0.58 PF00793 C2_S187 - (78)20 - / 3 / 46 12
56B0VNS626 64% 0.54 PF01274 C4_S122 - (2)20 - / - / 18 12
57B0VL3349 65% 0.53 PF00709 C11_S192 - (68)20 - / 42 / 9 10
58B0VRB558 71% 0.48 PF01063 C7_S187 - (80)20 - / 16 / 34 2
59B0VMU891 98% 0.59 PF13288 C5_S1166 - (51)20 16 / 25 / 43 26
60B0VKK3114 52% 0.62 PF02569 C8_S1301 - (178)20 11 / 52 / 28 18
61B0VSK643 68% 0.54 PF13085 C6_S179 - (0)19 - / - / 25 0
62B0VR1836 55% 0.53 PF00171 C3_S160 - (0)19 17 / 3 / 8 6
63B0VQZ749 43% 0.49 PF00202 C1_S182 - (61)19 - / 7 / 23 5
64B0VQK645 63% 0.54 PF06026 C4_S153 - (21)19 - / - / 26 7
65B0VS4753 50% 0.54 PF00348 C1_S183 - (64)19 - / - / 37 6
66B0VLU677 47% 0.62 PF00121 C7_S165 - (40)19 - / - / 33 8
67B0VLM041 54% 0.53 PF00490 C7_S144 - (18)19 - / 1 / 24 2
68B0VTC042 65% 0.60 PF00490 C6_S141 - (18)19 - / 1 / 27 2
69B0VKK567 57% 0.53 PF01288 C5_S1134 - (57)19 2 / 23 / 34 16
70B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 4
71B0VMQ244 51% 0.42 PF00254 C6_S1124 - (0)18 - / 5 / 16 4
72B0VP9026 47% 0.50 PF11798 C1_S1154 - (145)18 - / 5 / 29 4
73B0VPZ527 43% 0.53 PF00248 C6_S1175 - (135)18 3 / 3 / 7 1
74B0VTK943 46% 0.51 PF08402 C2_S151 - (0)17 - / 12 / 15 6
75B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
76B0VTZ931 42% 0.56 PF00982 C2_S159 - (22)17 1 / 8 / 16 4
77B0VUD921 51% 0.51 PF00768 C5_S127 - (0)16 - / - / 10 3
78B0VPM964 58% 0.59 PF00291 C3_S167 - (55)16 6 / 9 / 32 8
79B0VKC333 43% 0.55 PF02826 C2_S165 - (43)16 6 / 5 / 5 4
80B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
81B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
82B0VLF562 99% 0.58 PF01053 C1_S192 - (40)16 - / 3 / 49 3
83B0VQN159 64% 0.58 PF02978 C6_S1127 - (101)16 4 / 22 / 17 4
84B0VRF265 71% 0.53 PF00291 C1_S170 - (58)16 6 / 10 / 32 7
85B0VM6573 87% 0.65 PF17209 C2_S1164 - (0)16 - / 8 / 42 1
86B0VR6831 44% 0.45 PF00005 C1_S160 - (0)15 - / 7 / 12 4
87B0VQ1920 42% 0.55 PF13406 C3_S150 - (0)15 - / - / 6 2
88B0VT5855 50% 0.60 PF00005 C1_S160 - (0)15 - / 5 / 36 7
89B0VP8358 64% 0.58 PF00291 C3_S173 - (51)15 - / 3 / 47 2
90B0VNZ744 100% 0.53 PF01820 C2_S1110 - (82)15 - / 19 / 15 4
91B0VQC054 45% 0.67 PF00271 C4_S162 - (0)15 5 / 11 / 22 6
92B0VQ2141 66% 0.56 PF00731 C8_S147 - (29)15 - / 1 / 28 6
93B0VQ3339 100% 0.56 PF01202 C2_S170 - (56)15 - / 3 / 21 5
94B0VKJ428 65% 0.55 PF07973 C1_S131 - (9)15 4 / 13 / 4 7
95B0VNF623 40% 0.54 PF01168 C3_S133 - (21)14 - / 4 / 14 2
96B0VLU227 70% 0.55 PF03143 C5_S183 - (0)14 8 / 12 / 6 3
97B0VSN440 74% 0.57 PF00370 C2_S143 - (43)14 - / 4 / 20 4
98B0VM7021 66% 0.60 PF00160 C6_S1109 - (2)14 - / - / 7 0
99B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
100B0VQI469 67% 0.54 PF03952 C1_S153 - (44)14 - / 2 / 45 8

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