Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : E4X

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C7 C C1 N Y N 0 4.799 1.415 2.068
2 C6 C C2 N Y N 0 5.017 1.313 0.684
3 C8 C C3 N Y N 0 3.915 0.577 2.675
4 C14 C C4 N N N 0 3.038 -2.941 0.304
5 C12 C C5 S N N 0 1.131 -1.347 0.049
6 C11 C C6 R N N 0 2.631 -1.546 -0.176
7 C10 C C7 N Y N 0 3.397 -0.505 0.599
8 C15 C C8 N N N 0 0.729 0.026 -0.424
9 C17 C C9 N N N 0 0.256 2.163 -0.405
10 C22 C C10 N Y N 0 -2.186 -1.673 -0.003
11 C23 C C11 N Y N 0 -3.016 -1.421 -1.079
12 C24 C C12 N Y N 0 -3.934 -0.389 -1.017
13 C25 C C13 N Y N 0 -4.021 0.391 0.123
14 O29 O O1 N N N 0 -0.731 -3.355 1.259
15 S21 S S1 N N N 0 -1.015 -2.988 -0.084
16 O28 O O2 N N N 0 -1.507 -3.904 -1.052
17 C27 C C14 N Y N 0 -2.269 -0.891 1.133
18 C26 C C15 N Y N 0 -3.19 0.138 1.199
19 BR3 BR BR1 N N N 0 -5.275 1.804 0.208
20 N13 N N1 N N N 0 0.386 -2.36 -0.704
21 N19 N N2 N N N 0 0.418 0.337 -1.638
22 N18 N N3 N N N 0 0.107 1.705 -1.666
23 O16 O O3 N N N 0 0.634 1.122 0.355
24 C3 C C18 N Y N 0 5.403 1.08 -2.053
25 O20 O O4 N N N 0 0.077 3.306 -0.026
26 C5 C C16 N Y N 0 4.306 0.34 -0.061
27 C4 C C17 N Y N 0 4.515 0.245 -1.448
28 C2 C C19 N Y N 0 6.111 2.029 -1.319
29 C1 C C20 N Y N 0 5.926 2.158 0.023
30 C9 C C21 N Y N 0 3.22 -0.384 1.943
31 H1 H H1 N N N 0 5.334 2.152 2.649
32 H2 H H2 N N N 0 3.75 0.657 3.739
33 H3 H H3 N N N 0 2.814 -3.039 1.367
34 H4 H H4 N N N 0 2.484 -3.694 -0.256
35 H5 H H5 N N N 0 4.107 -3.082 0.144
36 H6 H H6 N N N 0 0.906 -1.446 1.111
37 H7 H H7 N N N 0 2.855 -1.447 -1.238
38 H8 H H8 N N N 0 -2.948 -2.029 -1.969
39 H9 H H9 N N N 0 -4.582 -0.191 -1.857
40 H10 H H10 N N N 0 -1.62 -1.089 1.974
41 H18 H H18 N N N 0 2.525 -1.038 2.449
42 H11 H H11 N N N 0 -3.254 0.749 2.087
43 H12 H H12 N N N 0 0.714 -2.662 -1.565
44 H13 H H13 N N N 0 -0.164 2.221 -2.441
45 H14 H H14 N N N 0 3.974 -0.486 -2.03
46 H15 H H15 N N N 0 5.562 1.005 -3.119
47 H16 H H16 N N N 0 6.81 2.679 -1.824
48 H17 H H17 N N N 0 6.474 2.905 0.578