Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : O0E

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 65


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O3 O O1 N N N 0 2.577 1.849 0.832
2 N N N1 N N N 0 4.896 1.204 1.499
3 C C C1 N Y N 0 4.615 -0.055 0.98
4 O O O2 N N N 0 -7.423 -2.021 0.663
5 C1 C C2 N Y N 0 3.329 -0.33 0.464
6 C10 C C3 N N N 0 -4.124 -0.03 0.033
7 C11 C C4 S N N 0 -5.413 -2.007 -0.575
8 C12 C C5 N N N 0 -6.802 -2.501 -0.262
9 C13 C C6 N N N 0 -4.421 -3.166 -0.46
10 C14 C C7 N N N 0 -4.684 2.275 0.851
11 C15 C C8 N N N 0 -3.8 3.421 1.41
12 C16 C C9 N N N 0 -2.382 3.019 0.952
13 C17 C C10 N Y N 0 3.035 -1.579 -0.057
14 C18 C C11 N Y N 0 4.02 -2.576 -0.071
15 C19 C C12 N Y N 0 5.311 -2.296 0.448
16 C2 C C13 N N N 0 2.293 0.72 0.48
17 C20 C C14 N Y N 0 6.295 -3.301 0.424
18 C21 C C15 N Y N 0 5.994 -4.527 -0.085
19 C22 C C16 N Y N 0 4.722 -4.805 -0.584
20 C23 C C17 N Y N 0 3.75 -3.854 -0.593
21 C24 C C18 N Y N 0 5.594 -1.022 0.967
22 C3 C C19 S N N 0 0.004 1.472 0.121
23 C4 C C20 N N N 0 0.055 2.26 -1.19
24 C5 C C21 N Y N 0 1.356 3.016 -1.27
25 C6 C C22 N Y N 0 2.25 2.949 -2.276
26 C7 C C23 N Y N 0 2.979 4.34 -0.752
27 C8 C C24 N N N 0 -1.354 0.836 0.271
28 C9 C C25 S N N 0 -3.745 1.053 1.01
29 N1 N N2 N N N 0 1.032 0.429 0.105
30 N2 N N3 N Y N 0 3.279 3.789 -1.947
31 N6 N N7 N N N 0 -7.354 -3.477 -1.01
32 N3 N N4 N Y N 0 1.825 3.878 -0.356
33 N4 N N5 N N N 0 -2.398 1.57 0.705
34 N5 N N6 N N N 0 -5.044 -0.954 0.375
35 O1 O O3 N N N 0 -3.601 -0.071 -1.061
36 O2 O O4 N N N 0 -1.508 -0.337 0.002
37 H4 H H1 N N N 0 4.253 1.924 1.402
38 H3 H H2 N N N 0 5.734 1.362 1.961
39 H2 H H3 N N N 0 -5.389 -1.607 -1.588
40 H15 H H4 N N N 0 -4.445 -3.566 0.553
41 H16 H H5 N N N 0 -4.695 -3.95 -1.167
42 H14 H H6 N N N 0 -3.417 -2.809 -0.686
43 H18 H H7 N N N 0 -5.588 2.152 1.447
44 H17 H H8 N N N 0 -4.93 2.446 -0.197
45 H20 H H9 N N N 0 -4.089 4.378 0.974
46 H19 H H10 N N N 0 -3.862 3.46 2.497
47 H22 H H11 N N N 0 -2.124 3.549 0.036
48 H21 H H12 N N N 0 -1.66 3.256 1.734
49 H23 H H13 N N N 0 2.05 -1.785 -0.449
50 H24 H H14 N N N 0 7.284 -3.101 0.807
51 H25 H H15 N N N 0 6.752 -5.296 -0.102
52 H26 H H16 N N N 0 4.51 -5.786 -0.983
53 H27 H H17 N N N 0 2.77 -4.084 -0.984
54 H28 H H18 N N N 0 6.575 -0.805 1.363
55 H H H19 N N N 0 0.183 2.147 0.958
56 H6 H H20 N N N 0 -0.017 1.571 -2.031
57 H7 H H21 N N N 0 -0.777 2.963 -1.224
58 H8 H H22 N N N 0 2.169 2.348 -3.169
59 H10 H H23 N N N 0 3.589 5.052 -0.215
60 H1 H H24 N N N 0 -3.785 0.674 2.03
61 H5 H H25 N N N 0 0.806 -0.471 -0.176
62 H9 H H26 N N N 0 4.076 3.957 -2.475
63 H11 H H28 N N N 0 -5.463 -0.921 1.249
64 H12 H H29 N N N 0 -6.858 -3.861 -1.75
65 H13 H H30 N N N 0 -8.248 -3.795 -0.809