Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PU8

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C19 C C19 N N N 0 3.16 0.153 -3.926
2 O3 O O3 N N N 0 2.597 -0.75 -2.973
3 C5 C C5 N Y N 0 1.419 -0.205 -2.563
4 C6 C C6 N Y N 0 1.383 0.608 -1.44
5 C4 C C4 N Y N 0 0.252 -0.459 -3.272
6 O1 O O1 N N N 0 0.284 -1.252 -4.378
7 C7 C C7 N N N 0 0.059 -2.591 -3.932
8 C3 C C3 N Y N 0 -0.948 0.099 -2.85
9 O2 O O2 N N N 0 -2.093 -0.145 -3.542
10 C8 C C8 N N N 0 -3.14 0.558 -2.87
11 C2 C C2 N Y N 0 -0.977 0.907 -1.724
12 C1 C C1 N Y N 0 0.186 1.157 -1.02
13 C9 C C9 N N N 0 0.15 2.036 0.202
14 C10 C C10 N Y N 0 0.196 1.177 1.439
15 N1 N N1 N Y N 0 1.282 0.715 1.988
16 C11 C C11 N Y N 0 0.959 -0.016 3.081
17 C13 C C13 N Y N 0 1.691 -0.735 4.041
18 N5 N N5 N N N 0 3.072 -0.795 3.978
19 C12 C C12 N Y N 0 -0.44 0.014 3.201
20 N4 N N4 N Y N 0 -1.017 -0.641 4.203
21 C14 C C14 N Y N 0 -0.29 -1.302 5.079
22 N3 N N3 N Y N 0 1.027 -1.355 5.011
23 N2 N N2 N Y N 0 -0.893 0.769 2.149
24 C15 C C15 N N N 0 -2.292 1.084 1.847
25 C16 C C16 N N N 0 -2.91 -0.059 1.041
26 C17 C C17 N N N 0 -4.371 0.27 0.725
27 C18 C C18 N N N 0 -4.988 -0.873 -0.081
28 CL CL CL N N N 0 2.841 0.926 -0.552
29 H191 H 1H19 N N N 0 4.074 -0.275 -4.338
30 H192 H 2H19 N N N 0 2.445 0.324 -4.731
31 H7C3 H 3H7C N N N 0 -0.938 -2.667 -3.499
32 H193 H 3H19 N N N 0 3.391 1.099 -3.438
33 H7C1 H 1H7C N N N 0 0.141 -3.274 -4.777
34 H7C2 H 2H7C N N N 0 0.802 -2.853 -3.179
35 H2 H H2 N N N 0 -1.91 1.341 -1.396
36 H8C1 H 1H8C N N N 0 -4.083 0.39 -3.391
37 H8C2 H 2H8C N N N 0 -3.222 0.196 -1.845
38 H8C3 H 3H8C N N N 0 -2.914 1.624 -2.862
39 H9C1 H 1H9C N N N 0 -0.768 2.623 0.201
40 H9C2 H 2H9C N N N 0 1.009 2.707 0.193
41 H5N1 H 1H5N N N N 0 3.567 -1.295 4.646
42 H5N2 H 2H5N N N N 0 3.546 -0.338 3.266
43 H14 H H14 N N N 0 -0.79 -1.821 5.883
44 H151 H 1H15 N N N 0 -2.845 1.212 2.778
45 H152 H 2H15 N N N 0 -2.34 2.005 1.267
46 H161 H 1H16 N N N 0 -2.862 -0.98 1.621
47 H162 H 2H16 N N N 0 -2.357 -0.187 0.11
48 H171 H 1H17 N N N 0 -4.418 1.191 0.145
49 H172 H 2H17 N N N 0 -4.923 0.397 1.656
50 H181 H 1H18 N N N 0 -6.029 -0.639 -0.305
51 H182 H 2H18 N N N 0 -4.436 -1.001 -1.011
52 H183 H 3H18 N N N 0 -4.941 -1.795 0.499