Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : D0S

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 67


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N Y N 0 -5.267 -1.057 -0.176
2 N12 N N1 N Y N 0 -0.753 0.981 -0.014
3 C13 C C2 N Y N 0 -0.363 2.241 -0.124
4 C15 C C3 N Y N 0 1.931 1.569 0.136
5 C17 C C4 N N N 0 3.376 1.89 0.216
6 C20 C C5 N N N 0 5.704 1.219 0.477
7 C21 C C6 S N N 0 6.501 -0.069 0.687
8 C24 C C7 N Y N 0 -5.363 0.281 -0.34
9 C28 C C9 N N N 0 6.63 -0.541 -1.685
10 C26 C C8 N Y N 0 -7.601 -0.188 -0.481
11 C01 C C10 N Y N 0 -4.041 -3.208 0.181
12 C02 C C11 N Y N 0 -4.012 -1.803 0.021
13 C04 C C12 N Y N 0 -1.71 -1.819 0.224
14 C06 C C13 N Y N 0 -2.88 -3.877 0.36
15 C07 C C14 N Y N 0 -0.373 -1.398 0.285
16 C08 C C15 N Y N 0 0.411 -2.54 0.495
17 C11 C C16 N Y N 0 0.116 -0.008 0.168
18 C14 C C17 N Y N 0 0.984 2.579 -0.054
19 C16 C C18 N Y N 0 1.484 0.252 0.248
20 C23 C C19 N N N 0 7.998 0.244 0.644
21 C25 C C20 N Y N 0 -6.647 0.749 -0.506
22 C29 C C21 N N N 0 6.73 -2.354 -0.083
23 C30 C C22 N N N 0 5.953 -2.99 1.071
24 C31 C C23 N N N 0 5.875 -1.274 -2.795
25 C33 C C24 N N N 0 -2.677 2.67 -0.358
26 C34 C C25 N N N 0 -3.093 3.864 0.52
27 C35 C C26 N N N 0 -1.62 3.925 0.962
28 N03 N N2 N Y N 0 -2.855 -1.158 0.047
29 N05 N N3 N Y N 0 -1.702 -3.181 0.377
30 N09 N N4 N Y N 0 -0.373 -3.588 0.542
31 N19 N N5 N N N 0 4.276 0.903 0.399
32 N22 N N6 N N N 0 6.171 -1.028 -0.377
33 N32 N N7 N N N 0 -1.312 3.239 -0.312
34 O18 O O1 N N N 0 3.749 3.042 0.115
35 O36 O O2 N N N 0 -3.518 5.006 -0.226
36 S27 S S1 N Y N 0 -6.875 -1.77 -0.227
37 H1 H H1 N N N 0 5.881 1.896 1.314
38 H2 H H2 N N N 0 6.022 1.697 -0.449
39 H3 H H3 N N N 0 6.248 -0.5 1.655
40 H4 H H4 N N N 0 -4.501 0.931 -0.34
41 H5 H H5 N N N 0 -8.659 -0.001 -0.593
42 H6 H H6 N N N 0 7.699 -0.728 -1.787
43 H7 H H7 N N N 0 6.44 0.529 -1.761
44 H8 H H8 N N N 0 -4.98 -3.741 0.165
45 H9 H H9 N N N 0 -2.882 -4.949 0.489
46 H10 H H10 N N N 0 1.487 -2.556 0.588
47 H11 H H11 N N N 0 1.293 3.61 -0.145
48 H12 H H12 N N N 0 2.186 -0.555 0.395
49 H13 H H13 N N N 0 8.252 0.675 -0.324
50 H14 H H14 N N N 0 8.243 0.955 1.433
51 H18 H H18 N N N 0 6.65 -2.986 -0.967
52 H15 H H15 N N N 0 8.566 -0.674 0.793
53 H16 H H16 N N N 0 -6.867 1.797 -0.65
54 H17 H H17 N N N 0 7.778 -2.252 0.198
55 H19 H H19 N N N 0 6.299 -4.013 1.222
56 H20 H H20 N N N 0 6.116 -2.413 1.982
57 H21 H H21 N N N 0 4.889 -2.998 0.833
58 H22 H H22 N N N 0 6.145 -2.33 -2.782
59 H23 H H23 N N N 0 4.802 -1.171 -2.635
60 H24 H H24 N N N 0 6.141 -0.844 -3.761
61 H25 H H25 N N N 0 -2.768 1.705 0.14
62 H26 H H26 N N N 0 -3.125 2.679 -1.352
63 H27 H H27 N N N 0 -3.783 3.6 1.322
64 H28 H H28 N N N 0 -1.221 4.938 1.022
65 H29 H H29 N N N 0 -1.402 3.329 1.848
66 H30 H H30 N N N 0 3.978 -0.017 0.479
67 H32 H H32 N N N 0 -3.78 5.759 0.322