Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XV4

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 64


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 -5.845 -2.027 1.132
2 C15 C C2 N N N 0 -0.702 2.66 0.363
3 C17 C C3 N N N 0 -2.092 2.424 2.425
4 C20 C C4 N N N 0 1.797 0.647 0.617
5 C21 C C5 N Y N 0 3.128 0.232 0.154
6 C22 C C6 N Y N 0 4.204 0.0 0.953
7 C24 C C7 N Y N 0 6.621 -0.731 0.378
8 C26 C C8 N N N 0 8.458 -1.119 1.834
9 C28 C C9 N Y N 0 6.978 -1.038 -1.977
10 C02 C C10 N N N 0 -1.553 0.651 -0.815
11 C04 C C11 S N N 0 -3.818 -0.003 -1.43
12 C05 C C12 N N N 0 -5.056 -0.482 -0.669
13 C06 C C13 S N N 0 -4.665 -1.62 0.277
14 C07 C C14 N N N 0 -4.32 -2.896 -0.525
15 C08 C C15 N N N 0 -4.88 -4.005 0.392
16 C12 C C16 N N N 0 -4.228 1.057 -2.454
17 C14 C C17 S N N 0 -0.55 1.147 0.194
18 C16 C C18 N N N 0 -2.06 2.969 0.996
19 C18 C C19 N N N 0 -2.279 4.483 1.023
20 C23 C C20 N Y N 0 5.284 -0.377 0.122
21 C27 C C21 N Y N 0 7.453 -1.058 -0.673
22 C29 C C22 N Y N 0 5.672 -0.694 -2.245
23 C30 C C23 N Y N 0 4.811 -0.361 -1.204
24 N03 N N1 N N N 0 -2.858 0.574 -0.486
25 N09 N N2 N N N 0 -5.945 -3.366 1.174
26 N19 N N3 N N N 0 0.805 0.842 -0.274
27 N31 N N4 N Y N 0 3.487 0.01 -1.163
28 O01 O O1 N N N 0 -1.187 0.322 -1.924
29 O11 O O2 N N N 0 -6.59 -1.256 1.7
30 O13 O O3 N N N 0 -4.933 2.11 -1.793
31 O25 O O4 N N N 0 7.089 -0.75 1.652
32 O32 O O5 N N N 0 1.59 0.814 1.804
33 H152 H H1 N N N 0 0.093 3.036 1.007
34 H151 H H2 N N N 0 -0.638 3.143 -0.612
35 H172 H H3 N N N 0 -1.351 2.946 3.03
36 H173 H H4 N N N 0 -3.083 2.579 2.852
37 H171 H H5 N N N 0 -1.865 1.358 2.413
38 H221 H H6 N N N 0 4.228 0.088 2.029
39 H262 H H7 N N N 0 8.703 -1.094 2.896
40 H263 H H8 N N N 0 8.618 -2.126 1.448
41 H261 H H9 N N N 0 9.098 -0.418 1.298
42 H281 H H10 N N N 0 7.641 -1.296 -2.79
43 H041 H H11 N N N 0 -3.359 -0.848 -1.945
44 H051 H H12 N N N 0 -5.47 0.345 -0.091
45 H052 H H13 N N N 0 -5.803 -0.84 -1.378
46 H061 H H14 N N N 0 -3.825 -1.321 0.904
47 H071 H H15 N N N 0 -4.823 -2.897 -1.492
48 H072 H H16 N N N 0 -3.242 -2.999 -0.648
49 H082 H H17 N N N 0 -5.288 -4.819 -0.207
50 H081 H H18 N N N 0 -4.098 -4.379 1.053
51 H121 H H19 N N N 0 -3.337 1.462 -2.934
52 H141 H H20 N N N 0 -0.723 0.655 1.151
53 H161 H H21 N N N 0 -2.85 2.498 0.41
54 H181 H H22 N N N 0 -2.256 4.871 0.004
55 H182 H H23 N N N 0 -3.246 4.702 1.474
56 H183 H H24 N N N 0 -1.489 4.954 1.609
57 H271 H H25 N N N 0 8.48 -1.33 -0.48
58 H291 H H26 N N N 0 5.316 -0.683 -3.265
59 H031 H H27 N N N 0 -3.161 0.9 0.375
60 H091 H H28 N N N 0 -6.632 -3.849 1.66
61 H191 H H29 N N N 0 0.987 0.78 -1.224
62 H311 H H30 N N N 0 2.902 0.103 -1.931
63 H1 H H31 N N Y 0 -4.872 0.605 -3.207
64 H2 H H32 N N N 0 -5.223 2.819 -2.383