Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : SHX

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 44


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 CL CL CL N N N 0 1.089 3.343 -0.617
2 C8 C C8 N Y N 0 -0.18 2.207 -0.281
3 C7 C C7 N Y N 0 -1.411 2.636 0.179
4 C19 C C19 N N N 0 -1.671 4.104 0.403
5 N2 N N2 N Y N 0 -2.359 1.744 0.421
6 C6 C C6 N Y N 0 -2.144 0.451 0.228
7 C5 C C5 N Y N 0 -3.235 -0.514 0.511
8 C4 C C4 N Y N 0 -4.464 -0.05 0.974
9 C3 C C3 N Y N 0 -5.473 -0.963 1.233
10 C2 C C2 N Y N 0 -5.218 -2.309 1.021
11 C1 C C1 N Y N 0 -3.973 -2.7 0.56
12 N1 N N1 N Y N 0 -3.033 -1.81 0.317
13 N3 N N3 N Y N 0 -0.979 -0.002 -0.212
14 C9 C C9 N Y N 0 0.018 0.836 -0.475
15 N4 N N4 N N N 0 1.233 0.359 -0.941
16 C10 C C10 R N N 0 1.428 -1.079 -1.14
17 C11 C C11 N N N 0 0.917 -1.472 -2.502
18 N5 N N5 N N N 0 0.993 -2.755 -2.907
19 O O O N N N 0 0.437 -0.632 -3.234
20 C12 C C12 N N N 0 2.918 -1.411 -1.04
21 C13 C C13 N Y N 0 3.402 -1.133 0.36
22 C18 C C18 N Y N 0 3.353 -2.128 1.319
23 C17 C C17 N Y N 0 3.795 -1.873 2.603
24 C16 C C16 N Y N 0 4.287 -0.624 2.929
25 C15 C C15 N Y N 0 4.337 0.371 1.971
26 C14 C C14 N Y N 0 3.899 0.115 0.685
27 H1 H H1 N N N 0 -2.065 4.547 -0.512
28 H2 H H2 N N N 0 -2.396 4.226 1.207
29 H3 H H3 N N N 0 -0.739 4.6 0.675
30 H4 H H4 N N N 0 -4.628 1.006 1.128
31 H5 H H5 N N N 0 -6.437 -0.633 1.593
32 H6 H H6 N N N 0 -5.984 -3.046 1.214
33 H7 H H7 N N N 0 -3.771 -3.748 0.394
34 H8 H H8 N N N 0 1.955 0.978 -1.134
35 H9 H H9 N N N 0 0.881 -1.63 -0.374
36 H10 H H10 N N N 0 1.377 -3.426 -2.321
37 H11 H H11 N N N 0 0.664 -3.007 -3.784
38 H12 H H12 N N N 0 3.073 -2.463 -1.276
39 H14 H H14 N N N 0 2.968 -3.105 1.064
40 H13 H H13 N N N 0 3.476 -0.794 -1.745
41 H15 H H15 N N N 0 3.757 -2.651 3.352
42 H16 H H16 N N N 0 4.629 -0.423 3.934
43 H17 H H17 N N N 0 4.721 1.348 2.226
44 H18 H H18 N N N 0 3.938 0.892 -0.064