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]
50B0VTG736 55% 0.47 PF02801 C1_S134 - (5)20 - / 6 / 11 6
51B0VSM674 51% 0.57 PF00809 C3_S1100 - (37)20 - / 4 / 72 27
52B0VLH274 43% 0.64 PF02729 C7_S178 - (41)20 - / 24 / 24 7
53B0VNV894 46% 0.54 PF00012 C2_S1113 - (0)20 9 / 51 / 16 10
54B0VUS175 88% 0.57 PF00591 C7_S1109 - (0)20 - / 32 / 38 3
55B0VKS376 100% 0.48 PF00334 C9_S178 - (68)20 - / 25 / 31 12
56B0VQ5863 55% 0.56 PF01746 C6_S164 - (22)20 1 / 39 / 18 35
57B0VMU891 98% 0.59 PF13288 C5_S1166 - (51)20 16 / 25 / 43 26
58B0VN6746 52% 0.58 PF00202 C1_S1101 - (71)20 - / 4 / 25 5
59B0VMZ751 58% 0.68 PF03167 C7_S185 - (0)20 3 / 12 / 23 11
60B0VUV982 66% 0.50 PF00557 C3_S194 - (0)20 - / 10 / 62 35
61B0VS4753 50% 0.54 PF00348 C1_S183 - (64)19 - / - / 37 6
62B0VTC042 65% 0.60 PF00490 C6_S141 - (18)19 - / 1 / 27 2
63B0VLU677 47% 0.62 PF00121 C7_S165 - (40)19 - / - / 33 8
64B0VLM041 54% 0.53 PF00490 C7_S144 - (18)19 - / 1 / 24 2
65B0VR1836 55% 0.53 PF00171 C3_S160 - (0)19 17 / 3 / 8 6
66B0VKK567 57% 0.53 PF01288 C5_S1134 - (57)19 2 / 23 / 34 16
67B0VSK643 68% 0.54 PF13085 C6_S179 - (0)19 - / - / 25 0
68B0VQZ749 43% 0.49 PF00202 C1_S182 - (61)19 - / 7 / 23 5
69B0VQK645 63% 0.54 PF06026 C4_S153 - (21)19 - / - / 26 7
70B0VMQ244 51% 0.42 PF00254 C6_S1124 - (0)18 - / 5 / 16 4
71B0VP9026 47% 0.50 PF11798 C1_S1154 - (145)18 - / 5 / 29 4
72B0VTE561 70% 0.51 PF00692 C4_S1175 - (138)18 - / - / 33 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
75B0VTZ931 42% 0.56 PF00982 C2_S159 - (22)17 1 / 8 / 16 4
76B0VLA953 63% 0.67 PF00180 C7_S169 - (58)17 - / 8 / 31 4
77B0VSN033 100% 0.63 PF02882 C3_S160 - (48)16 6 / 16 / 5 4
78B0VKC333 43% 0.55 PF02826 C2_S165 - (43)16 6 / 5 / 5 4
79B0VM6573 87% 0.65 PF17209 C2_S1164 - (0)16 - / 8 / 42 1
80B0VQN159 64% 0.58 PF02978 C6_S1127 - (101)16 4 / 22 / 17 4
81B0VPM964 58% 0.59 PF00291 C3_S167 - (55)16 6 / 9 / 32 8
82B0VLF562 99% 0.58 PF01053 C1_S192 - (40)16 - / 3 / 49 3
83B0VRF265 71% 0.53 PF00291 C1_S170 - (58)16 6 / 10 / 32 7
84B0VSH443 99% 0.56 PF00348 C1_S157 - (45)16 - / - / 30 3
85B0VUD921 51% 0.51 PF00768 C5_S127 - (0)16 - / - / 10 3
86B0VQ2141 66% 0.56 PF00731 C8_S147 - (29)15 - / 1 / 28 6
87B0VT5855 50% 0.60 PF00005 C1_S160 - (0)15 - / 5 / 36 7
88B0VR6831 44% 0.45 PF00005 C1_S160 - (0)15 - / 7 / 12 4
89B0VP8358 64% 0.58 PF00291 C3_S173 - (51)15 - / 3 / 47 2
90B0VKJ428 65% 0.55 PF07973 C1_S131 - (9)15 4 / 13 / 4 7
91B0VQC054 45% 0.67 PF00271 C4_S162 - (0)15 5 / 11 / 22 6
92B0VNZ744 100% 0.53 PF01820 C2_S1110 - (82)15 - / 19 / 15 4
93B0VQ3339 100% 0.56 PF01202 C2_S170 - (56)15 - / 3 / 21 5
94B0VQ1920 42% 0.55 PF13406 C3_S150 - (0)15 - / - / 6 2
95B0VSN440 74% 0.57 PF00370 C2_S143 - (43)14 - / 4 / 20 4
96B0VLU227 70% 0.55 PF03143 C5_S183 - (0)14 8 / 12 / 6 3
97B0VQ5229 51% 0.56 PF00625 C3_S143 - (34)14 5 / 10 / 7 5
98B0VSA9103 63% 0.57 PF05191 C2_S1152 - (137)14 75 / 26 / 1 5
99B0VU0943 73% 0.61 PF02978 C5_S180 - (0)14 3 / 16 / 16 5
100B0VR3034 80% 0.55 PF00438 C5_S123 - (11)14 - / - / 11 5

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