Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BO9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 82


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O36 O O36 N N N 0 -5.609 -3.955 0.161
2 C35 C C35 N N N 0 -5.885 -2.901 -0.377
3 O37 O O37 N N N 0 -6.516 -2.897 -1.566
4 C38 C C38 N N N 0 -6.866 -4.152 -2.206
5 C41 C C41 N N N 0 -7.803 -4.946 -1.294
6 C40 C C40 N N N 0 -7.569 -3.868 -3.535
7 C39 C C39 N N N 0 -5.596 -4.965 -2.465
8 N34 N N34 N N N 0 -5.56 -1.736 0.218
9 C30 C C30 S N N 0 -4.873 -1.741 1.512
10 C31 C C31 N N N 0 -5.889 -1.855 2.619
11 O33 O O33 N N N 0 -7.066 -1.926 2.354
12 O32 O O32 N N N 0 -5.487 -1.879 3.899
13 C29 C C29 N N N 0 -4.085 -0.44 1.676
14 C28 C C28 N N N 0 -2.972 -0.382 0.628
15 C26 C C26 N N N 0 -2.195 0.899 0.789
16 O27 O O27 N N N 0 -2.502 1.689 1.657
17 N25 N N25 N N N 0 -1.16 1.168 -0.031
18 O8 O O8 N N N 0 -2.125 3.29 -1.232
19 C9 C C9 S N N 0 -0.405 2.413 0.126
20 C7 C C7 N N N 0 -1.1 3.52 -0.625
21 N6 N N6 N N N 0 -0.583 4.764 -0.623
22 C4 C C4 S N N 0 -1.258 5.84 -1.353
23 C5 C C5 N N N 0 -0.226 6.645 -2.145
24 B1 B B1 N N N 0 -1.99 6.785 -0.335
25 O3 O O3 N N N 0 -3.333 6.519 0.041
26 O2 O O2 N N N 0 -1.308 7.905 0.21
27 C10 C C10 N N N 0 1.007 2.227 -0.432
28 C11 C C11 N N N 0 1.756 1.192 0.41
29 C12 C C12 N N N 0 3.168 1.006 -0.147
30 C13 C C13 N N N 0 3.917 -0.03 0.695
31 N14 N N14 N N N 0 5.269 -0.208 0.161
32 C15 C C15 N N N 0 6.116 -1.077 0.747
33 O16 O O16 N N N 0 5.757 -1.714 1.718
34 O17 O O17 N N N 0 7.359 -1.241 0.256
35 C18 C C18 N N N 0 8.271 -2.178 0.888
36 C19 C C19 N Y N 0 9.586 -2.172 0.152
37 C24 C C24 N Y N 0 10.587 -1.298 0.532
38 C23 C C23 N Y N 0 11.793 -1.293 -0.143
39 C22 C C22 N Y N 0 11.999 -2.162 -1.198
40 C21 C C21 N Y N 0 10.998 -3.037 -1.578
41 C20 C C20 N Y N 0 9.793 -3.045 -0.9
42 H411 H 1H41 N N N 0 -8.708 -4.367 -1.11
43 H412 H 2H41 N N N 0 -8.067 -5.888 -1.775
44 H413 H 3H41 N N N 0 -7.303 -5.148 -0.347
45 H401 H 1H40 N N N 0 -6.901 -3.302 -4.186
46 H402 H 2H40 N N N 0 -7.832 -4.81 -4.016
47 H393 H 3H39 N N N 0 -4.929 -4.4 -3.115
48 H403 H 3H40 N N N 0 -8.474 -3.288 -3.352
49 H391 H 1H39 N N N 0 -5.096 -5.168 -1.518
50 H392 H 2H39 N N N 0 -5.859 -5.907 -2.945
51 H34 H H34 N N N 0 -5.78 -0.895 -0.211
52 H30 H H30 N N N 0 -4.189 -2.588 1.558
53 H32 H H32 N N N 0 -6.139 -1.953 4.61
54 H291 H 1H29 N N N 0 -3.647 -0.404 2.673
55 H292 H 2H29 N N N 0 -4.754 0.41 1.542
56 H281 H 1H28 N N N 0 -3.41 -0.419 -0.37
57 H282 H 2H28 N N N 0 -2.302 -1.232 0.762
58 H25 H H25 N N N 0 -0.915 0.536 -0.725
59 H9 H H9 N N N 0 -0.348 2.672 1.183
60 HN6 H HN6 N N N 0 0.237 4.948 -0.138
61 H4 H H4 N N N 0 -1.988 5.41 -2.039
62 H51 H 1H5 N N N 0 0.504 7.074 -1.459
63 H52 H 2H5 N N N 0 0.282 5.989 -2.852
64 H53 H 3H5 N N N 0 -0.729 7.445 -2.688
65 HO3 H HO3 N N N 0 -3.605 5.723 -0.436
66 HO2 H HO2 N N N 0 -1.928 8.347 0.805
67 H101 H 1H10 N N N 0 0.948 1.882 -1.464
68 H102 H 2H10 N N N 0 1.54 3.178 -0.396
69 H111 H 1H11 N N N 0 1.815 1.537 1.442
70 H112 H 2H11 N N N 0 1.223 0.241 0.375
71 H121 H 1H12 N N N 0 3.109 0.661 -1.179
72 H122 H 2H12 N N N 0 3.701 1.956 -0.112
73 H131 H 1H13 N N N 0 3.976 0.316 1.727
74 H132 H 2H13 N N N 0 3.384 -0.98 0.659
75 H14 H H14 N N N 0 5.555 0.3 -0.614
76 H181 H 1H18 N N N 0 8.434 -1.884 1.925
77 H182 H 2H18 N N N 0 7.842 -3.179 0.857
78 H24 H H24 N N N 0 10.427 -0.619 1.356
79 H23 H H23 N N N 0 12.575 -0.61 0.154
80 H22 H H22 N N N 0 12.941 -2.157 -1.726
81 H21 H H21 N N N 0 11.158 -3.715 -2.403
82 H20 H H20 N N N 0 9.011 -3.728 -1.197