Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : TKJ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 69


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 4.806 -1.417 -0.151
2 C2 C C2 N N N 0 5.942 -2.304 0.349
3 C3 C C3 N N N 0 7.056 -2.369 -0.698
4 C5 C C4 N N N 0 6.27 0.262 -1.294
5 C6 C C5 N N N 0 5.24 0.046 -0.183
6 S4 S S1 N N N 0 7.759 -0.709 -0.918
7 C7 C C6 N N N 0 3.62 -1.563 0.766
8 O8 O O1 N N N 0 3.785 -1.879 1.926
9 C9 C C7 N Y N 0 -1.735 2.765 0.944
10 C10 C C8 N Y N 0 -2.478 3.727 0.288
11 C11 C C9 N Y N 0 -1.897 4.487 -0.713
12 C12 C C10 N Y N 0 -0.572 4.282 -1.056
13 C13 C C11 N Y N 0 0.17 3.319 -0.399
14 C14 C C12 N Y N 0 -0.41 2.564 0.604
15 F15 F F1 N N N 0 -2.624 5.428 -1.356
16 S16 S S2 N N N 0 0.538 1.337 1.442
17 C17 C C13 R N N 0 0.294 -0.17 0.462
18 C18 C C14 N Y N 0 -1.169 -0.524 0.402
19 C19 C C15 N Y N 0 -1.711 -1.38 1.343
20 C20 C C16 N Y N 0 -3.052 -1.707 1.29
21 C21 C C17 N Y N 0 -3.856 -1.175 0.292
22 C22 C C18 N Y N 0 -3.31 -0.317 -0.651
23 C23 C C19 N Y N 0 -1.969 0.011 -0.591
24 O24 O O2 N N N 0 -5.175 -1.495 0.238
25 C25 C C20 N N N 0 -5.942 -0.91 -0.817
26 C26 C C21 N Y N 0 -7.372 -1.377 -0.717
27 C27 C C22 N Y N 0 -8.283 -0.656 0.032
28 C28 C C23 N Y N 0 -9.594 -1.084 0.124
29 C29 C C24 N Y N 0 -9.994 -2.232 -0.533
30 C30 C C25 N Y N 0 -9.083 -2.953 -1.282
31 C31 C C26 N Y N 0 -7.773 -2.522 -1.379
32 O32 O O3 N N N 0 1.879 1.793 1.331
33 O33 O O4 N N N 0 -0.092 1.214 2.71
34 C34 C C27 N N N 0 1.105 -1.338 1.063
35 N35 N N1 N N N 0 2.375 -1.344 0.299
36 C36 C C28 N N N 0 1.966 -1.053 -1.094
37 C37 C C29 N N N 0 0.859 0.019 -0.962
38 O38 O O5 N N N 0 8.597 -0.718 -2.065
39 O39 O O6 N N N 0 8.285 -0.269 0.327
40 H1 H H1 N N N 0 4.523 -1.729 -1.157
41 H5 H H5 N N N 0 6.646 -2.721 -1.645
42 H2 H H2 N N N 0 6.341 -1.893 1.276
43 H3 H H3 N N N 0 5.562 -3.309 0.534
44 H4 H H4 N N N 0 7.834 -3.053 -0.361
45 H6 H H6 N N N 0 5.852 -0.065 -2.247
46 H7 H H7 N N N 0 6.528 1.319 -1.351
47 H8 H H8 N N N 0 4.371 0.677 -0.367
48 H9 H H9 N N N 0 5.682 0.313 0.777
49 H10 H H10 N N N 0 -2.188 2.172 1.725
50 H11 H H11 N N N 0 -3.513 3.886 0.555
51 H12 H H12 N N N 0 -0.118 4.874 -1.837
52 H13 H H13 N N N 0 1.204 3.158 -0.666
53 H14 H H14 N N N 0 -1.085 -1.794 2.119
54 H15 H H15 N N N 0 -3.475 -2.376 2.025
55 H16 H H16 N N N 0 -3.933 0.099 -1.429
56 H17 H H17 N N N 0 -1.543 0.68 -1.325
57 H18 H H18 N N N 0 -5.907 0.176 -0.733
58 H19 H H19 N N N 0 -5.527 -1.214 -1.779
59 H20 H H20 N N N 0 -7.97 0.241 0.546
60 H21 H H21 N N N 0 -10.306 -0.521 0.71
61 H22 H H22 N N N 0 -11.018 -2.567 -0.461
62 H23 H H23 N N N 0 -9.395 -3.851 -1.795
63 H24 H H24 N N N 0 -7.061 -3.085 -1.965
64 H25 H H25 N N N 0 1.299 -1.161 2.121
65 H26 H H26 N N N 0 0.573 -2.28 0.927
66 H27 H H27 N N N 0 2.808 -0.661 -1.664
67 H28 H H28 N N N 0 1.571 -1.95 -1.57
68 H29 H H29 N N N 0 0.08 -0.146 -1.706
69 H30 H H30 N N N 0 1.283 1.017 -1.071