Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : O9E

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 80


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 3.732 -1.327 0.002
2 C C C1 N N N 0 3.23 -0.194 -0.528
3 O O O1 N N N 0 3.489 0.107 -1.678
4 O1 O O2 N N N 0 -3.616 -0.864 1.399
5 C17 C C2 N N N 0 -3.608 -0.751 0.187
6 N4 N N2 N N N 0 -4.253 -1.654 -0.578
7 C23 C C3 N N N 0 -4.245 -1.517 -2.036
8 C18 C C4 N N N 0 -4.964 -2.771 0.049
9 C19 C C5 N Y N 0 -6.388 -2.366 0.331
10 N7 N N3 N Y N 0 -6.836 -1.711 1.407
11 N6 N N4 N Y N 0 -8.106 -1.544 1.294
12 N5 N N5 N Y N 0 -8.526 -2.059 0.191
13 C21 C C6 N N N 0 -9.912 -2.063 -0.282
14 C22 C C7 N N N 0 -10.813 -2.688 0.785
15 C20 C C8 N Y N 0 -7.464 -2.589 -0.459
16 C16 C C9 N Y N 0 -2.897 0.367 -0.44
17 S S S1 N Y N 0 -2.62 0.549 -2.166
18 C14 C C10 N Y N 0 -1.789 2.021 -1.934
19 C15 C C11 N N N 0 -1.197 2.853 -3.042
20 C24 C C12 N Y N 0 -2.355 1.424 0.226
21 C13 C C13 N Y N 0 -1.734 2.342 -0.61
22 C12 C C14 N N N 0 -1.074 3.563 -0.109
23 C25 C C15 N N N 0 -1.646 4.957 -0.22
24 C26 C C16 N N N 0 -0.448 5.899 0.037
25 C27 C C17 N N N 0 0.483 5.005 0.886
26 C11 C C18 N N N 0 0.111 3.589 0.512
27 C10 C C19 N Y N 0 0.939 2.4 0.791
28 C9 C C20 N Y N 0 1.676 1.749 -0.188
29 C28 C C21 N Y N 0 1.051 1.851 2.034
30 C29 C C22 N N N 0 0.357 2.373 3.266
31 S1 S S2 N Y N 0 2.082 0.493 2.005
32 C8 C C23 N Y N 0 2.37 0.676 0.281
33 C7 C C24 N N N 0 3.421 -1.688 1.387
34 C1 C C25 N N N 0 4.584 -2.2 -0.81
35 C2 C C26 N Y N 0 6.024 -1.786 -0.65
36 N3 N N6 N Y N 0 6.661 -0.828 -1.333
37 N2 N N7 N Y N 0 7.878 -0.763 -0.921
38 N1 N N8 N Y N 0 8.081 -1.634 0.005
39 C3 C C27 N Y N 0 6.925 -2.305 0.216
40 C4 C C28 N N N 0 9.343 -1.854 0.716
41 C5 C C29 N N N 0 10.456 -2.134 -0.296
42 C6 C C30 N N N 0 11.774 -2.364 0.446
43 H1 H H1 N N N 0 -3.329 -1.953 -2.437
44 H2 H H2 N N N 0 -5.107 -2.036 -2.455
45 H3 H H3 N N N 0 -4.291 -0.461 -2.303
46 H4 H H4 N N N 0 -4.956 -3.629 -0.623
47 H5 H H5 N N N 0 -4.47 -3.037 0.984
48 H6 H H6 N N N 0 -10.233 -1.039 -0.474
49 H7 H H7 N N N 0 -9.981 -2.644 -1.201
50 H8 H H8 N N N 0 -10.492 -3.711 0.978
51 H14 H H14 N N N 0 -0.122 2.952 -2.888
52 H9 H H9 N N N 0 -10.745 -2.106 1.705
53 H10 H H10 N N N 0 -11.845 -2.691 0.434
54 H11 H H11 N N N 0 -7.475 -3.095 -1.413
55 H12 H H12 N N N 0 -1.383 2.368 -4.0
56 H13 H H13 N N N 0 -1.656 3.842 -3.039
57 H15 H H15 N N N 0 -2.402 1.537 1.299
58 H16 H H16 N N N 0 -2.051 5.123 -1.218
59 H17 H H17 N N N 0 -2.418 5.112 0.534
60 H18 H H18 N N N 0 0.032 6.184 -0.9
61 H19 H H19 N N N 0 -0.759 6.781 0.598
62 H20 H H20 N N N 0 1.527 5.202 0.639
63 H21 H H21 N N N 0 0.307 5.174 1.948
64 H22 H H22 N N N 0 1.697 2.063 -1.222
65 H23 H H23 N N N 0 -0.616 1.891 3.366
66 H24 H H24 N N N 0 0.963 2.154 4.145
67 H25 H H25 N N N 0 0.22 3.45 3.177
68 H26 H H26 N N N 0 4.114 -1.182 2.059
69 H27 H H27 N N N 0 2.401 -1.385 1.621
70 H28 H H28 N N N 0 3.517 -2.767 1.511
71 H29 H H29 N N N 0 4.464 -3.232 -0.481
72 H30 H H30 N N N 0 4.295 -2.117 -1.858
73 H31 H H31 N N N 0 6.757 -3.101 0.927
74 H32 H H32 N N N 0 9.593 -0.965 1.295
75 H33 H H33 N N N 0 9.238 -2.707 1.386
76 H34 H H34 N N N 0 10.205 -3.023 -0.876
77 H35 H H35 N N N 0 10.56 -1.281 -0.967
78 H36 H H36 N N N 0 12.024 -1.475 1.025
79 H37 H H37 N N N 0 11.67 -3.217 1.116
80 H38 H H38 N N N 0 12.567 -2.563 -0.275