Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : TJC

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 71


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 0.909 1.553 -0.884
2 C11 C C2 N N N 0 2.81 0.539 -2.188
3 O2 O O1 N N N 0 9.524 0.431 0.298
4 C18 C C3 N N N 0 8.618 -0.538 0.505
5 O3 O O2 N N N 0 8.915 -1.514 1.152
6 C17 C C4 N N N 0 7.232 -0.408 -0.07
7 O1 O O3 N N N 0 6.459 -1.556 0.285
8 C16 C C5 N Y N 0 5.175 -1.597 -0.157
9 C19 C C6 N Y N 0 4.668 -0.554 -0.918
10 C15 C C7 N Y N 0 4.369 -2.687 0.146
11 CL1 CL CL1 N N N 0 5.0 -3.998 1.092
12 C14 C C8 N Y N 0 3.063 -2.726 -0.306
13 C13 C C9 N Y N 0 2.56 -1.681 -1.059
14 C12 C C10 N Y N 0 3.362 -0.598 -1.367
15 N1 N N1 N Y N 0 2.219 1.541 -1.298
16 C2 C C11 N Y N 0 2.889 2.605 -0.758
17 C1 C C12 N N N 0 4.345 2.918 -0.991
18 C3 C C13 N Y N 0 2.059 3.329 0.009
19 C4 C C14 N N N 0 2.408 4.576 0.779
20 C5 C C15 N Y N 0 0.751 2.67 -0.04
21 C6 C C16 N Y N 0 -0.487 2.935 0.54
22 C9 C C17 N Y N 0 -0.179 0.718 -1.133
23 C8 C C18 N Y N 0 -1.39 0.98 -0.565
24 C7 C C19 N Y N 0 -1.56 2.088 0.277
25 C20 C C20 N N N 0 -2.878 2.358 0.885
26 O4 O O4 N N N 0 -3.026 3.319 1.615
27 N2 N N2 N N N 0 -3.918 1.538 0.631
28 C21 C C21 N N N 0 -5.226 1.805 1.234
29 C22 C C22 N Y N 0 -6.207 0.749 0.794
30 C23 C C23 N Y N 0 -6.951 0.934 -0.356
31 C24 C C24 N Y N 0 -7.851 -0.034 -0.76
32 C25 C C25 N Y N 0 -8.007 -1.187 -0.014
33 C28 C C26 N N N 0 -8.988 -2.243 -0.454
34 C30 C C27 N N N 0 -10.395 -1.643 -0.504
35 C31 C C28 N N N 0 -8.602 -2.751 -1.845
36 C29 C C29 N N N 0 -8.965 -3.407 0.539
37 C26 C C30 N Y N 0 -7.261 -1.373 1.135
38 C27 C C31 N Y N 0 -6.358 -0.406 1.537
39 H1 H H1 N N N 0 3.615 0.994 -2.765
40 H2 H H2 N N N 0 2.046 0.159 -2.866
41 H3 H H3 N N N 0 10.401 0.303 0.686
42 H4 H H4 N N N 0 6.755 0.488 0.329
43 H5 H H5 N N N 0 7.293 -0.333 -1.155
44 H6 H H6 N N N 0 5.295 0.292 -1.158
45 H7 H H7 N N N 0 2.436 -3.572 -0.071
46 H8 H H8 N N N 0 1.54 -1.713 -1.411
47 H9 H H9 N N N 0 4.443 3.567 -1.861
48 H10 H H10 N N N 0 4.753 3.422 -0.115
49 H11 H H11 N N N 0 4.893 1.992 -1.165
50 H12 H H12 N N N 0 2.238 5.45 0.149
51 H13 H H13 N N N 0 1.781 4.642 1.668
52 H14 H H14 N N N 0 3.456 4.54 1.075
53 H15 H H15 N N N 0 -0.613 3.79 1.188
54 H16 H H16 N N N 0 -0.062 -0.139 -1.779
55 H17 H H17 N N N 0 -2.227 0.328 -0.765
56 H18 H H18 N N N 0 -3.799 0.771 0.049
57 H19 H H19 N N N 0 -5.135 1.787 2.32
58 H20 H H20 N N N 0 -5.579 2.786 0.915
59 H21 H H21 N N N 0 -6.83 1.836 -0.939
60 H22 H H22 N N N 0 -8.434 0.111 -1.658
61 H23 H H23 N N N 0 -10.411 -0.813 -1.211
62 H24 H H24 N N N 0 -11.105 -2.406 -0.822
63 H25 H H25 N N N 0 -10.67 -1.281 0.487
64 H26 H H26 N N N 0 -7.6 -3.179 -1.81
65 H27 H H27 N N N 0 -9.311 -3.514 -2.163
66 H28 H H28 N N N 0 -8.618 -1.922 -2.552
67 H29 H H29 N N N 0 -9.241 -3.045 1.529
68 H30 H H30 N N N 0 -9.675 -4.17 0.22
69 H31 H H31 N N N 0 -7.963 -3.834 0.574
70 H32 H H32 N N N 0 -7.382 -2.274 1.717
71 H33 H H33 N N N 0 -5.773 -0.553 2.433