Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BMS

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 60


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C5 C C5 N Y N 0 1.045 0.057 3.768
2 C6 C C6 N Y N 0 -0.295 0.414 3.875
3 C4 C C4 N Y N 0 1.767 -0.297 4.904
4 C7 C C7 N Y N 0 -0.91 0.423 5.106
5 C2 C C2 N Y N 0 -0.187 0.074 6.25
6 C3 C C3 N Y N 0 1.159 -0.284 6.139
7 N1 N N1 N N N 0 1.666 0.049 2.521
8 C1 C C1 N N N 0 -0.843 0.083 7.57
9 O1 O O1 N N N 0 -0.145 -0.253 8.672
10 O2 O O2 N N N 0 -2.014 0.396 7.665
11 C8 C C8 N N N 0 0.963 -0.288 1.421
12 C9 C C9 N Y N 0 1.585 -0.18 0.085
13 C10 C C10 N Y N 0 0.864 -0.528 -1.054
14 C11 C C11 N Y N 0 1.444 -0.427 -2.31
15 C12 C C12 N Y N 0 2.741 0.021 -2.432
16 C13 C C13 N Y N 0 3.464 0.369 -1.296
17 C14 C C14 N Y N 0 2.9 0.271 -0.045
18 O3 O O3 N N N 0 -0.181 -0.682 1.529
19 C15 C C15 S N N 0 0.609 -0.825 -3.499
20 C16 C C16 N N N 0 1.205 -0.263 -4.787
21 C17 C C17 N N N 0 2.691 -0.639 -4.836
22 C18 C C18 N N N 0 3.427 0.163 -3.766
23 C19 C C19 N N N 0 4.864 -0.346 -3.651
24 C20 C C20 N N N 0 3.446 1.64 -4.168
25 C21 C C21 N Y N 0 -0.789 -0.291 -3.324
26 C22 C C22 N Y N 0 -1.003 1.081 -3.226
27 N2 N N2 N Y N 0 -2.205 1.582 -3.074
28 C23 C C23 N Y N 0 -3.283 0.795 -3.006
29 C24 C C24 N Y N 0 -3.136 -0.611 -3.099
30 C25 C C25 N Y N 0 -1.847 -1.153 -3.267
31 C26 C C26 N Y N 0 -4.569 1.337 -2.843
32 C27 C C27 N Y N 0 -5.648 0.51 -2.777
33 C28 C C28 N Y N 0 -5.501 -0.871 -2.868
34 C29 C C29 N Y N 0 -4.271 -1.434 -3.026
35 H6 H H6 N N N 0 -0.853 0.684 2.99
36 H7 H H7 N N N 0 -1.951 0.701 5.187
37 H3 H H3 N N N 0 1.721 -0.555 7.021
38 H4 H H4 N N N 0 2.807 -0.574 4.818
39 HXT H HXT N N N 0 -0.575 -0.247 9.538
40 H H H N N N 0 2.603 0.286 2.443
41 H10 H H10 N N N 0 -0.152 -0.878 -0.96
42 H13 H H13 N N N 0 4.481 0.719 -1.396
43 H14 H H14 N N N 0 3.47 0.542 0.831
44 H15 H H15 N N N 0 0.572 -1.913 -3.565
45 H161 H 1H16 N N N 0 1.101 0.821 -4.797
46 H162 H 2H16 N N N 0 0.69 -0.69 -5.648
47 H171 H 1H17 N N N 0 3.098 -0.401 -5.819
48 H172 H 2H17 N N N 0 2.806 -1.705 -4.64
49 H191 H 1H19 N N N 0 5.396 0.23 -2.895
50 H192 H 2H19 N N N 0 4.855 -1.398 -3.365
51 H193 H 3H19 N N N 0 5.367 -0.236 -4.612
52 H201 H 1H20 N N N 0 3.979 2.215 -3.411
53 H202 H 2H20 N N N 0 3.95 1.748 -5.128
54 H203 H 3H20 N N N 0 2.424 2.007 -4.251
55 H22 H H22 N N N 0 -0.157 1.75 -3.277
56 H25 H H25 N N N 0 -1.699 -2.219 -3.346
57 H26 H H26 N N N 0 -4.701 2.407 -2.77
58 H27 H H27 N N N 0 -6.634 0.932 -2.652
59 H28 H H28 N N N 0 -6.373 -1.505 -2.812
60 H29 H H29 N N N 0 -4.169 -2.507 -3.096