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]
50B0VKG10 40% 0.11 PF08124 3 - (0)? - / - / - 0
51B0VKG22 39% 0.69 PF05979 3 - (0)? - / - / - 0
52B0VKG36 36% 0.71 PF00717 19 - (0)? - / - / - 0
53B0VKG415 40% 0.83 PF00717 10 - (0)? - / - / - 0
54B0VKG514 27% 0.26 PF00717 5 - (0)? - / - / - 0
55B0VKG60 33% ? PF00508 0 - (0)? - / - / - 0
56B0VKG70 34% 0.67 PF00216 3 - (0)? - / - / - 0
57B0VKG815 25% 0.36 PF00145 17 - (5)? - / - / - 0
58B0VKG90 39% 0.26 PF00069 4 - (0)? - / - / - 0
59B0VKH00 34% 0.30 PF00046 3 - (0)? - / - / - 0
60B0VKH11 60% 0.85 PF00990 2 - (0)? - / - / - 0
61B0VKH20 31% 0.46 PF00303 16 - (8)? - / - / - 0
62B0VKH36 38% 0.23 PF13395 9 - (0)? - / - / - 0
63B0VKH40 43% 0.47 PF07716 3 - (0)? - / - / - 0
64B0VKH57 51% 0.36 PF05367 9 - (0)? - / - / - 0
65B0VKH611 31% 0.45 PF08281 1 - (0)? - / - / - 0
66B0VKH712 28% 0.66 PF03604 0 - (0)? - / - / - 0
67B0VKH80 50% 0.17 PF01180 72 - (0)? - / - / - 0
68B0VKH90 44% 0.38 PF00375 2 - (0)? - / - / - 0
69B0VKI00 45% 0.50 PF10294 1 - (0)? - / - / - 0
70B0VKI10 38% 0.13 PF05001 10 - (0)? - / - / - 0
71B0VKI20 17% 0.39 PF07465 0 - (0)? - / - / - 0
72B0VKI45 45% 0.60 PF01799 1 - (0)? - / - / - 0
73B0VKI55 30% 0.61 PF07716 1 - (0)? - / - / - 0
74B0VKI64 34% 0.41 PF03695 5 - (2)? - / - / - 0
75B0VKI722 50% 0.55 PF00557 C1_S119 - (0)13 - / - / 7 0
76B0VKI816 29% 0.49 PF01494 44 - (26)2 - / - / - 0
77B0VKI913 36% 0.54 PF01494 43 - (26)2 - / - / - 0
78B0VKJ00 37% 0.48 PF00216 1 - (0)? - / - / - 0
79B0VKJ113 41% 0.63 PF13411 28 - (0)? - / - / - 0
80B0VKJ24 28% 0.15 PF16916 0 - (0)? - / - / - 0
81B0VKJ31 20% 0.15 PF08113 0 - (0)? - / - / - 0
82B0VKJ428 65% 0.55 PF07973 C1_S131 - (9)15 4 / 13 / 4 7
83B0VKJ520 37% 0.52 PF13193 C4_S154 - (22)5 - / 1 / 4 0
84B0VKK03 32% 0.68 PF10459 3 - (0)? - / - / - 0
85B0VKK113 38% ? PF00381 3 - (0)? - / - / - 0
86B0VKK216 42% 0.54 PF01202 C2_S117 - (13)1 - / - / 1 0
87B0VKK3114 52% 0.62 PF02569 C8_S1301 - (178)20 11 / 52 / 28 18
88B0VKK422 54% 0.59 PF02548 7 - (4)2 - / - / - 0
89B0VKK567 57% 0.53 PF01288 C5_S1134 - (57)19 2 / 23 / 34 16
90B0VKK631 39% 0.53 PF12627 C5_S126 - (16)8 - / - / 16 3
91B0VKK712 44% 0.71 PF01336 14 - (0)? - / - / - 0
92B0VKK815 44% 0.45 PF03819 C1_S14 - (0)1 - / - / 1 0
93B0VKK912 34% 0.40 PF00106 C1_S177 - (60)6 2 / 2 / - 0
94B0VKL211 36% 0.58 PF04607 C5_S14 - (2)2 - / - / 2 1
95B0VKL312 40% 0.45 PF05958 C2_S113 - (0)2 - / - / 2 0
96B0VKL413 23% 0.39 PF03104 12 - (0)? - / - / - 0
97B0VKL523 65% 0.54 PF00291 C4_S1107 - (68)20 - / 1 / 16 1
98B0VKL620 37% ? PF00512 C3_S133 - (31)6 1 / 3 / 2 0
99B0VKL720 37% 0.53 PF00378 15 - (0)? - / - / - 0
100B0VKL819 38% 0.54 PF03446 C1_S135 - (26)4 1 / 1 / 2 0

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