Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : HWY

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 87


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C12 C C1 N N N 0 -5.733 -0.67 1.593
2 C14 C C2 N N N 0 -7.083 -2.248 2.982
3 C16 C C3 N N N 0 -3.959 -1.316 -0.103
4 C17 C C4 R N N 0 -2.665 -0.708 0.442
5 C19 C C5 S N N 0 -1.468 -1.501 -0.086
6 C21 C C6 N N N 0 0.905 -1.026 -0.376
7 O22 O O1 N N N 0 0.893 -1.726 -1.369
8 C24 C C7 R N N 0 3.225 -0.663 -0.802
9 C26 C C8 R N N 0 4.938 0.442 -2.143
10 C28 C C9 N N N 0 6.342 1.911 -1.099
11 C30 C C10 S N N 0 5.627 -0.257 -0.946
12 O51 O O2 N N N 0 6.938 2.941 -0.852
13 O27 O O3 N N N 0 5.482 1.793 -2.117
14 N29 N N1 N N N 0 6.486 0.791 -0.379
15 C41 C C11 N Y N 0 7.32 0.644 0.736
16 C46 C C12 N Y N 0 7.386 -0.574 1.399
17 C45 C C13 N Y N 0 8.21 -0.717 2.498
18 C44 C C14 N Y N 0 8.968 0.353 2.939
19 C43 C C15 N Y N 0 8.903 1.567 2.282
20 C42 C C16 N Y N 0 8.087 1.714 1.178
21 C25 C C17 N N N 0 3.433 0.493 -1.811
22 C31 C C18 N N N 0 4.51 -0.6 0.06
23 O23 O O4 N N N 0 2.046 -0.428 0.013
24 N20 N N2 N N N 0 -0.226 -0.85 0.337
25 C32 C C19 N N N 0 -1.513 -2.925 0.472
26 C38 C C20 N Y N 0 -0.405 -3.741 -0.144
27 C37 C C21 N Y N 0 -0.628 -4.436 -1.317
28 C36 C C22 N Y N 0 0.387 -5.184 -1.882
29 C35 C C23 N Y N 0 1.627 -5.237 -1.272
30 C34 C C24 N Y N 0 1.851 -4.542 -0.099
31 C33 C C25 N Y N 0 0.836 -3.79 0.463
32 O18 O O5 N N N 0 -2.678 -0.76 1.87
33 N11 N N3 N N N 0 -5.095 -0.477 0.288
34 C13 C C26 N N N 0 -6.53 -1.976 1.582
35 C15 C C27 N N N 0 -7.689 -1.858 0.589
36 S8 S S1 N N N 0 -5.657 0.69 -0.743
37 O9 O O6 N N N 0 -5.262 0.294 -2.05
38 O10 O O7 N N N 0 -7.009 0.93 -0.38
39 C5 C C28 N Y N 0 -4.774 2.173 -0.385
40 C4 C C29 N Y N 0 -3.591 2.449 -1.045
41 C3 C C30 N Y N 0 -2.898 3.61 -0.765
42 C6 C C31 N Y N 0 -5.269 3.061 0.553
43 C7 C C32 N Y N 0 -4.58 4.224 0.835
44 C2 C C33 N Y N 0 -3.389 4.5 0.179
45 O39 O O8 N N N 0 -2.71 5.644 0.455
46 C40 C C34 N N N 0 -1.491 5.863 -0.259
47 H1 H H1 N N N 0 -4.969 -0.718 2.368
48 H2 H H2 N N N 0 -6.405 0.164 1.796
49 H3 H H3 N N N 0 -7.735 -1.427 3.28
50 H4 H H4 N N N 0 -7.651 -3.178 2.974
51 H5 H H5 N N N 0 -6.258 -2.332 3.689
52 H6 H H6 N N N 0 -3.905 -1.37 -1.19
53 H7 H H7 N N N 0 -4.09 -2.318 0.305
54 H8 H H8 N N N 0 -2.585 0.329 0.117
55 H9 H H9 N N N 0 -1.507 -1.536 -1.175
56 H10 H H10 N N N 0 3.152 -1.621 -1.317
57 H11 H H11 N N N 0 5.144 -0.062 -3.086
58 H12 H H12 N N N 0 6.199 -1.132 -1.256
59 H13 H H13 N N N 0 6.794 -1.41 1.055
60 H14 H H14 N N N 0 8.262 -1.664 3.014
61 H15 H H15 N N N 0 9.611 0.239 3.799
62 H16 H H16 N N N 0 9.496 2.401 2.629
63 H17 H H17 N N N 0 8.04 2.662 0.661
64 H18 H H18 N N N 0 2.839 0.326 -2.71
65 H19 H H19 N N N 0 3.176 1.449 -1.355
66 H20 H H20 N N N 0 4.424 0.182 0.815
67 H21 H H21 N N N 0 4.702 -1.565 0.529
68 H22 H H22 N N N 0 -0.216 -0.291 1.13
69 H23 H H23 N N N 0 -1.384 -2.895 1.554
70 H24 H H24 N N N 0 -2.474 -3.379 0.232
71 H25 H H25 N N N 0 -1.597 -4.394 -1.794
72 H26 H H26 N N N 0 0.213 -5.728 -2.799
73 H27 H H27 N N N 0 2.421 -5.823 -1.713
74 H28 H H28 N N N 0 2.819 -4.584 0.377
75 H29 H H29 N N N 0 1.012 -3.243 1.378
76 H30 H H30 N N N 0 -2.747 -1.655 2.23
77 H31 H H31 N N N 0 -5.878 -2.797 1.283
78 H32 H H32 N N N 0 -8.257 -2.789 0.581
79 H33 H H33 N N N 0 -8.341 -1.037 0.888
80 H34 H H34 N N N 0 -7.294 -1.665 -0.408
81 H35 H H35 N N N 0 -3.209 1.755 -1.779
82 H36 H H36 N N N 0 -1.973 3.825 -1.28
83 H41 H H41 N N N 0 -1.698 5.896 -1.329
84 H37 H H37 N N N 0 -6.196 2.845 1.063
85 H38 H H38 N N N 0 -4.967 4.917 1.567
86 H39 H H39 N N N 0 -1.051 6.809 0.055
87 H40 H H40 N N N 0 -0.796 5.05 -0.049