Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : VD3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 72


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O O O N N N 0 -5.539 -3.548 -0.709
2 C1 C C1 N N N 0 -7.115 -0.429 0.671
3 C2 C C2 N N N 0 -6.855 -1.93 0.507
4 C3 C C3 S N N 0 -5.68 -2.151 -0.447
5 C4 C C4 N N N 0 -4.391 -1.618 0.185
6 C5 C C5 N N N 0 -4.587 -0.149 0.505
7 C7 C C7 N N N 0 -3.656 0.774 0.185
8 C8 C C8 N N N 0 -2.421 0.366 -0.488
9 C9 C C9 N N N 0 -1.502 1.278 -0.804
10 C10 C C10 N N N 0 -1.68 2.758 -0.492
11 C6 C C6 N N N 0 -5.843 0.221 1.189
12 C11 C C11 N N N 0 -0.448 3.313 0.219
13 C12 C C12 N N N 0 0.852 2.92 -0.504
14 C13 C C13 R N N 0 0.923 1.417 -0.558
15 C14 C C14 S N N 0 -0.218 0.921 -1.492
16 C15 C C15 N N N 0 0.11 -0.57 -1.603
17 C16 C C16 N N N 0 1.656 -0.569 -1.769
18 C17 C C17 R N N 0 2.162 0.757 -1.144
19 C18 C C18 N N N 0 0.664 0.848 0.839
20 C19 C C19 N N N 0 -5.863 1.087 2.202
21 C20 C C20 R N N 0 3.183 0.469 -0.041
22 C21 C C21 N N N 0 3.615 1.784 0.61
23 C22 C C22 N N N 0 4.404 -0.226 -0.646
24 C23 C C23 N N N 0 5.369 -0.626 0.472
25 C24 C C24 N N N 0 6.59 -1.321 -0.133
26 C25 C C25 N N N 0 7.556 -1.721 0.985
27 C26 C C26 N N N 0 8.715 -2.525 0.394
28 C27 C C27 N N N 0 8.101 -0.462 1.662
29 HO H HO N N N 0 -4.793 -3.645 -1.316
30 H11 H 1H1 N N N 0 -7.388 0.004 -0.291
31 H12 H 2H1 N N N 0 -7.922 -0.273 1.387
32 H21 H 1H2 N N N 0 -7.746 -2.41 0.102
33 H22 H 2H2 N N N 0 -6.62 -2.366 1.478
34 H3 H H3 N N N 0 -5.869 -1.624 -1.383
35 H41 H 1H4 N N N 0 -3.563 -1.735 -0.514
36 H42 H 2H4 N N N 0 -4.177 -2.168 1.102
37 H7 H H7 N N N 0 -3.823 1.814 0.424
38 H8 H H8 N N N 0 -2.254 -0.674 -0.727
39 H101 H 1H10 N N N 0 -1.835 3.304 -1.422
40 H102 H 2H10 N N N 0 -2.553 2.887 0.149
41 H111 H 1H11 N N N 0 -0.519 4.4 0.256
42 H112 H 2H11 N N N 0 -0.419 2.924 1.237
43 H121 H 1H12 N N N 0 0.846 3.318 -1.518
44 H122 H 2H12 N N N 0 1.711 3.311 0.042
45 H14 H H14 N N N 0 -0.157 1.403 -2.468
46 H151 H 1H15 N N N 0 -0.372 -1.008 -2.476
47 H152 H 2H15 N N N 0 -0.18 -1.098 -0.694
48 H161 H 1H16 N N N 0 1.918 -0.608 -2.827
49 H162 H 2H16 N N N 0 2.09 -1.42 -1.244
50 H17 H H17 N N N 0 2.603 1.393 -1.911
51 H181 H 1H18 N N N 0 -0.321 1.165 1.183
52 H182 H 2H18 N N N 0 0.702 -0.24 0.801
53 H183 H 3H18 N N N 0 1.425 1.215 1.528
54 H191 H 1H19 N N N 0 -6.799 1.341 2.677
55 H192 H 2H19 N N N 0 -4.943 1.534 2.549
56 H20 H H20 N N N 0 2.732 -0.178 0.712
57 H211 H 1H21 N N N 0 4.066 2.431 -0.143
58 H212 H 2H21 N N N 0 2.745 2.28 1.041
59 H213 H 3H21 N N N 0 4.342 1.579 1.395
60 H221 H 1H22 N N N 0 4.906 0.454 -1.333
61 H222 H 2H22 N N N 0 4.084 -1.118 -1.186
62 H231 H 1H23 N N N 0 4.867 -1.307 1.159
63 H232 H 2H23 N N N 0 5.689 0.265 1.012
64 H241 H 1H24 N N N 0 7.093 -0.64 -0.82
65 H242 H 2H24 N N N 0 6.271 -2.212 -0.673
66 H25 H H25 N N N 0 7.029 -2.329 1.72
67 H261 H 1H26 N N N 0 9.403 -2.809 1.191
68 H262 H 2H26 N N N 0 8.327 -3.422 -0.088
69 H263 H 3H26 N N N 0 9.243 -1.916 -0.34
70 H271 H 1H27 N N N 0 7.274 0.111 2.083
71 H272 H 2H27 N N N 0 8.788 -0.746 2.459
72 H273 H 3H27 N N N 0 8.628 0.147 0.928