Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 9HA

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 89


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N N N1 N N N 0 3.28 -0.324 -0.196
2 C C C1 N Y N 0 10.03 2.033 0.363
3 O O O1 N N N 0 5.509 0.252 -0.576
4 C1 C C2 N Y N 0 9.823 0.668 0.445
5 C10 C C3 S N N 0 -1.483 0.536 0.181
6 C11 C C4 N N N 0 -2.77 -0.193 -0.107
7 C12 C C5 N N N 0 -6.176 -0.092 -0.225
8 C13 C C6 N N N 0 -6.133 -0.422 -1.718
9 C14 C C7 N N N 0 -7.313 0.213 -2.407
10 C15 C C8 N N N 0 -5.097 -1.99 0.858
11 C16 C C9 N N N 0 -3.917 -2.625 1.546
12 C18 C C10 R N N 0 1.837 -2.29 -0.383
13 C2 C C11 N Y N 0 8.719 0.099 -0.162
14 C20 C C12 N N N 0 0.985 -3.507 1.498
15 C21 C C13 N N N 0 -0.463 -3.125 1.181
16 C22 C C14 N N N 0 1.149 -3.672 3.01
17 C23 C C15 N N N 0 1.329 -4.824 0.8
18 C24 C C16 N N N 0 -1.601 1.985 -0.295
19 C25 C C17 N N N 0 -2.647 2.716 0.549
20 C26 C C18 N N N 0 -2.905 4.102 -0.047
21 C27 C C19 N N N 0 -3.951 4.833 0.797
22 C28 C C20 N N N 0 -3.437 4.981 2.231
23 C6 C C26 N N N 0 6.618 0.273 -1.512
24 C29 C C21 N N N 0 -3.179 3.595 2.826
25 C3 C C22 N Y N 0 7.822 0.894 -0.851
26 C30 C C23 N N N 0 -2.133 2.864 1.982
27 C4 C C24 N Y N 0 8.029 2.258 -0.933
28 C5 C C25 N Y N 0 9.133 2.828 -0.326
29 C60 C C27 N N N 0 2.988 -3.07 -1.021
30 C7 C C28 N N N 0 4.349 -0.274 -1.014
31 C8 C C29 S N N 0 1.991 -0.801 -0.702
32 C9 C C30 N N N 0 0.876 -0.029 -0.046
33 N1 N N2 N N N 0 -0.381 -0.122 -0.524
34 N2 N N3 N N N 0 -3.858 0.032 0.656
35 N3 N N4 N N N 0 -5.028 -0.709 0.445
36 N4 N N5 N N N 0 -7.483 0.056 -3.735
37 O1 O O2 N N N 0 4.267 -0.704 -2.148
38 O2 O O3 N N N 0 1.109 0.677 0.912
39 O3 O O4 N N N 0 -2.827 -0.983 -1.026
40 O4 O O5 N N N 0 -8.11 0.865 -1.766
41 O5 O O6 N N N 0 -6.11 -2.632 0.675
42 O6 O O7 N N N 0 1.861 -2.478 1.033
43 H1 H H1 N N N 0 3.365 -0.048 0.73
44 H2 H H2 N N N 0 10.89 2.478 0.841
45 H3 H H3 N N N 0 10.524 0.047 0.982
46 H4 H H4 N N N 0 -1.289 0.521 1.254
47 H5 H H5 N N N 0 -6.137 0.989 -0.09
48 H6 H H6 N N N 0 -7.099 -0.479 0.206
49 H7 H H7 N N N 0 -5.209 -0.035 -2.149
50 H8 H H8 N N N 0 -6.172 -1.503 -1.853
51 H9 H H9 N N N 0 -3.106 -1.9 1.62
52 H10 H H10 N N N 0 -4.209 -2.947 2.546
53 H11 H H11 N N Y 0 -3.581 -3.488 0.971
54 H12 H H12 N N N 0 0.889 -2.651 -0.781
55 H13 H H13 N N N 0 8.557 -0.967 -0.099
56 H14 H H14 N N N 0 -1.137 -3.857 1.624
57 H15 H H15 N N N 0 -0.677 -2.138 1.592
58 H16 H H16 N N N 0 -0.605 -3.107 0.1
59 H17 H H17 N N N 0 2.18 -3.944 3.236
60 H18 H H18 N N N 0 0.904 -2.733 3.507
61 H19 H H19 N N N 0 0.48 -4.456 3.365
62 H20 H H20 N N N 0 1.199 -4.71 -0.276
63 H21 H H21 N N N 0 2.364 -5.089 1.015
64 H22 H H22 N N N 0 0.669 -5.611 1.165
65 H23 H H23 N N N 0 -0.637 2.482 -0.189
66 H24 H H24 N N N 0 -1.904 2.0 -1.342
67 H25 H H25 N N N 0 -3.575 2.144 0.552
68 H26 H H26 N N N 0 -1.977 4.674 -0.05
69 H27 H H27 N N N 0 -3.271 3.997 -1.068
70 H28 H H28 N N N 0 -4.134 5.82 0.373
71 H29 H H29 N N N 0 -4.878 4.261 0.801
72 H30 H H30 N N N 0 -2.509 5.553 2.227
73 H31 H H31 N N N 0 -4.182 5.502 2.832
74 H32 H H32 N N N 0 -2.813 3.701 3.847
75 H33 H H33 N N N 0 -4.107 3.023 2.83
76 H34 H H34 N N N 0 -1.95 1.877 2.406
77 H35 H H35 N N N 0 -1.205 3.436 1.978
78 H36 H H36 N N N 0 7.328 2.88 -1.47
79 H37 H H37 N N N 0 9.292 3.894 -0.386
80 H38 H H38 N N N 0 6.856 -0.746 -1.817
81 H39 H H39 N N N 0 6.343 0.86 -2.389
82 H40 H H40 N N N 0 3.928 -2.777 -0.555
83 H41 H H41 N N N 0 2.828 -4.138 -0.876
84 H42 H H42 N N N 0 3.028 -2.851 -2.088
85 H43 H H43 N N N 0 1.948 -0.655 -1.782
86 H44 H H44 N N N 0 -0.555 -0.625 -1.335
87 H45 H H45 N N N 0 -3.831 0.708 1.351
88 H46 H H46 N N N 0 -6.846 -0.466 -4.247
89 H47 H H47 N N N 0 -8.243 0.465 -4.178