Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : NU5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 66


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O2 O O2 N N N 0 2.515 -1.737 -2.426
2 S1 S S1 N N N 0 2.58 -2.333 -1.137
3 O3 O O3 N N N 0 3.056 -3.657 -0.941
4 C22 C C22 N N N 0 3.259 -1.189 0.095
5 C23 C C23 N N N 0 4.75 -0.976 -0.173
6 N6 N N6 N N N 0 5.301 -0.049 0.825
7 C24 C C24 N N N 0 6.727 0.11 0.511
8 C25 C C25 N N N 0 7.366 1.069 1.518
9 C26 C C26 N N N 0 8.852 1.235 1.192
10 O4 O O4 N N N 0 9.448 2.131 2.132
11 C19 C C19 N Y N 0 0.883 -2.456 -0.678
12 C18 C C18 N Y N 0 -0.042 -1.579 -1.214
13 C17 C C17 N Y N 0 -1.373 -1.673 -0.857
14 C16 C C16 N Y N 0 -1.781 -2.65 0.042
15 C21 C C21 N Y N 0 -0.85 -3.529 0.579
16 C20 C C20 N Y N 0 0.479 -3.433 0.213
17 N2 N N2 N N N 0 -3.128 -2.748 0.406
18 C2 C C2 N Y N 0 -3.904 -1.604 0.503
19 N1 N N1 N Y N 0 -3.322 -0.419 0.363
20 C6 C C6 N Y N 0 -4.023 0.704 0.443
21 N9 N N9 N Y N 0 -7.312 -0.444 1.067
22 C5 C C5 N Y N 0 -5.401 0.62 0.69
23 N7 N N7 N Y N 0 -6.399 1.526 0.835
24 C8 C C8 N Y N 0 -7.52 0.904 1.057
25 C4 C C4 N Y N 0 -5.976 -0.655 0.838
26 N3 N N3 N Y N 0 -5.201 -1.729 0.738
27 O6 O O6 N N N 0 -3.419 1.907 0.293
28 C9 C C9 N N N 0 -2.034 1.648 0.056
29 C10 C C10 N N N 0 -1.29 2.974 -0.123
30 C15 C C15 N N N 0 0.21 2.703 -0.252
31 C14 C C14 N N N 0 0.953 4.029 -0.43
32 C13 C C13 N N N 0 0.451 4.729 -1.694
33 C12 C C12 N N N 0 -1.05 4.999 -1.565
34 C11 C C11 N N N 0 -1.793 3.674 -1.386
35 H221 H 1H22 N N N 0 3.126 -1.607 1.093
36 H222 H 2H22 N N N 0 2.739 -0.233 0.03
37 H231 H 1H23 N N N 0 4.884 -0.557 -1.171
38 H232 H 2H23 N N N 0 5.271 -1.931 -0.108
39 HN6 H HN6 N N N 0 5.25 -0.519 1.716
40 H241 H 1H24 N N N 0 6.835 0.515 -0.495
41 H242 H 2H24 N N N 0 7.222 -0.859 0.568
42 H251 H 1H25 N N N 0 7.258 0.664 2.524
43 H252 H 2H25 N N N 0 6.871 2.039 1.461
44 H261 H 1H26 N N N 0 8.959 1.64 0.185
45 H262 H 2H26 N N N 0 9.347 0.266 1.248
46 HO4 H HO4 N N N 0 10.382 2.208 1.891
47 H18 H H18 N N N 0 0.277 -0.82 -1.913
48 H17 H H17 N N N 0 -2.094 -0.988 -1.275
49 H21 H H21 N N N 0 -1.164 -4.289 1.279
50 H20 H H20 N N N 0 1.204 -4.117 0.63
51 HN2 H HN2 N N N 0 -3.518 -3.616 0.59
52 H8 H H8 N N N 0 -8.476 1.385 1.209
53 HN9 H HN9 N N N 0 -7.984 -1.128 1.212
54 H91 H 1H9 N N N 0 -1.615 1.108 0.905
55 H92 H 2H9 N N N 0 -1.926 1.047 -0.846
56 H10 H H10 N N N 0 -1.472 3.611 0.743
57 H151 H 1H15 N N N 0 0.568 2.204 0.649
58 H152 H 2H15 N N N 0 0.391 2.066 -1.117
59 H141 H 1H14 N N N 0 0.772 4.666 0.435
60 H142 H 2H14 N N N 0 2.022 3.836 -0.522
61 H131 H 1H13 N N N 0 0.98 5.673 -1.822
62 H132 H 2H13 N N N 0 0.632 4.091 -2.56
63 H112 H 2H11 N N N 0 -2.862 3.867 -1.294
64 H121 H 1H12 N N N 0 -1.231 5.637 -0.7
65 H122 H 2H12 N N N 0 -1.408 5.498 -2.465
66 H111 H 1H11 N N N 0 -1.612 3.036 -2.252