Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KU9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 61


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 -5.512 0.982 -0.501
2 C10 C C2 N Y N 0 5.064 3.018 1.089
3 C11 C C3 N Y N 0 3.99 2.438 1.736
4 C12 C C4 N Y N 0 2.728 2.483 1.168
5 C13 C C5 N N N 0 1.408 1.933 1.666
6 C14 C C6 N N N 0 -3.963 -0.759 -0.245
7 C15 C C7 S N N 0 -3.68 -2.239 -0.244
8 C16 C C8 N N N 0 -1.189 -2.045 -0.458
9 C17 C C9 N N N 0 0.177 -2.37 0.09
10 C18 C C10 N Y N 0 2.95 -2.123 -0.196
11 C19 C C11 N Y N 0 2.916 -2.883 0.966
12 C2 C C12 N N N 0 -4.42 1.924 -0.222
13 C20 C C13 N Y N 0 4.096 -3.26 1.578
14 C21 C C14 N Y N 0 5.31 -2.881 1.035
15 C22 C C15 N Y N 0 5.349 -2.124 -0.122
16 C23 C C16 N Y N 0 4.172 -1.744 -0.739
17 C24 C C17 N N N 0 -2.309 -3.284 1.417
18 C25 C C18 N N N 0 -3.669 -4.026 1.39
19 C26 C C19 N N N 0 -4.599 -2.949 0.772
20 C3 C C20 N N N 0 -3.162 1.397 0.026
21 C4 C C21 N N N 0 -2.021 2.295 0.315
22 C5 C C22 N N N 0 0.329 2.666 0.841
23 C6 C C23 N N N 0 1.087 3.022 -0.455
24 C7 C C24 N Y N 0 2.543 3.109 -0.051
25 C8 C C25 N Y N 0 3.621 3.688 -0.698
26 C9 C C26 N Y N 0 4.879 3.648 -0.127
27 N1 N N1 N N N 0 -0.801 1.777 0.555
28 N2 N N2 N N N 0 -2.987 0.064 0.004
29 N3 N N3 N N N 0 -2.293 -2.483 0.179
30 N4 N N4 N N N 0 -5.227 -0.338 -0.493
31 O1 O O1 N N N 0 -6.641 1.38 -0.728
32 O2 O O2 N N N 0 -4.635 3.263 -0.208
33 O3 O O3 N N N 0 -2.185 3.499 0.334
34 O4 O O4 N N N 0 -1.294 -1.39 -1.474
35 S1 S S1 N N N 0 1.447 -1.646 -0.984
36 CL1 CL CL1 N N N 0 4.221 -0.794 -2.192
37 H1 H H1 N N N 0 6.047 2.981 1.535
38 H2 H H2 N N N 0 4.135 1.949 2.688
39 H3 H H3 N N N 0 1.355 0.859 1.489
40 H4 H H4 N N N 0 1.285 2.149 2.727
41 H5 H H5 N N N 0 -3.843 -2.649 -1.241
42 H6 H H6 N N N 0 0.272 -1.958 1.095
43 H7 H H7 N N N 0 0.306 -3.452 0.127
44 H8 H H8 N N N 0 1.969 -3.179 1.391
45 H9 H H9 N N N 0 4.07 -3.851 2.481
46 H10 H H10 N N N 0 6.231 -3.177 1.516
47 H11 H H11 N N N 0 6.299 -1.829 -0.542
48 H12 H H12 N N N 0 -2.248 -2.634 2.29
49 H13 H H13 N N N 0 -1.487 -3.999 1.419
50 H14 H H14 N N N 0 -3.619 -4.91 0.756
51 H15 H H15 N N N 0 -3.99 -4.288 2.398
52 H16 H H16 N N N 0 -4.942 -2.251 1.536
53 H17 H H17 N N N 0 -5.445 -3.415 0.266
54 H18 H H18 N N N 0 -0.009 3.565 1.356
55 H19 H H19 N N N 0 0.948 2.241 -1.202
56 H20 H H20 N N N 0 0.743 3.981 -0.843
57 H21 H H21 N N N 0 3.478 4.177 -1.65
58 H22 H H22 N N N 0 5.717 4.102 -0.634
59 H23 H H23 N N N 0 -0.67 0.816 0.54
60 H24 H H24 N N N 0 -5.926 -0.986 -0.674
61 H25 H H25 N N N 0 -5.549 3.516 -0.395