Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : ANY

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 82


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 0.022 0.257 -4.971
2 C2 C C2 N Y N 0 0.448 1.481 -5.48
3 C3 C C3 N Y N 0 0.78 2.513 -4.616
4 C4 C C4 N Y N 0 0.684 2.335 -3.246
5 C5 C C5 N Y N 0 0.258 1.131 -2.728
6 C6 C C6 N Y N 0 -0.079 0.081 -3.586
7 C7 C C7 N N N 0 -0.536 -1.209 -3.035
8 N1 N N1 N N N 0 0.547 1.668 -6.866
9 N2 N N2 N N N 0 -0.628 -1.376 -1.701
10 O1 O O1 N N N 0 -0.303 -0.756 -5.814
11 O3 O O3 N N N 0 -0.83 -2.12 -3.784
12 C9 C C9 S N N 0 -1.081 -2.657 -1.153
13 C10 C C10 R N N 0 0.001 -3.219 -0.227
14 O4 O O4 N N N 0 -2.747 -1.38 0.229
15 O5 O O5 N N N 0 0.214 -2.25 0.84
16 C11 C C11 S N N 0 -2.043 -0.135 0.368
17 C12 C C12 R N N 0 -1.343 -0.079 1.736
18 C13 C C13 R N N 0 0.168 0.127 1.458
19 C14 C C14 N N N 0 0.541 -0.985 0.487
20 O6 O O6 N N N 0 1.104 -0.751 -0.555
21 C15 C C15 N N N 0 0.972 -0.004 2.754
22 C16 C C16 N N N 0 2.463 0.145 2.447
23 C20 C C20 N N N 0 -2.36 -2.449 -0.415
24 O7 O O7 N N N 0 -3.13 -3.38 -0.412
25 O8 O O8 N N N 0 -1.861 1.03 2.516
26 C21 C C21 N N N 0 -2.885 0.836 3.362
27 C22 C C22 R N N 0 -3.422 1.988 4.171
28 C26 C C26 N N N 0 1.299 -3.423 -1.011
29 O9 O O9 N N N 0 -3.376 -0.262 3.474
30 C27 C C27 N N N 0 -3.036 1.023 0.258
31 C23 C C23 N N N 0 -4.578 1.5 5.048
32 C17 C C17 N N N 0 3.266 0.014 3.743
33 C8 C C8 N N N 0 1.513 2.461 -7.371
34 C24 C C24 N N N 0 -5.124 2.67 5.869
35 C25 C C25 N N N 0 -2.311 2.549 5.06
36 C18 C C18 N N N 0 4.757 0.164 3.436
37 O2 O O2 N N N 0 2.36 2.928 -6.639
38 C19 C C19 N N N 0 5.56 0.032 4.731
39 C28 C C28 N N N 0 7.052 0.183 4.424
40 C29 C C29 N N N 0 7.855 0.051 5.72
41 H3 H H3 N N N 0 1.114 3.46 -5.013
42 H4 H H4 N N N 0 0.944 3.144 -2.58
43 H5 H H5 N N N 0 0.185 0.999 -1.659
44 HN1 H HN1 N N N 0 -0.078 1.227 -7.461
45 HN2 H HN2 N N N 0 -0.394 -0.649 -1.103
46 HO1 H HO1 N N N 0 0.506 -1.262 -5.968
47 H9 H H9 N N N 0 -1.251 -3.357 -1.972
48 H10 H H10 N N N 0 -0.329 -4.168 0.194
49 H11 H H11 N N N 0 -1.298 -0.049 -0.422
50 H12 H H12 N N N 0 -1.499 -1.016 2.272
51 H13 H H13 N N N 0 0.341 1.102 1.003
52 H151 H 1H15 N N N 0 0.789 -0.983 3.197
53 H152 H 2H15 N N N 0 0.664 0.773 3.453
54 H161 H 1H16 N N N 0 2.646 1.124 2.004
55 H162 H 2H16 N N N 0 2.77 -0.632 1.748
56 H22 H H22 N N N 0 -3.78 2.768 3.5
57 H261 H 1H26 N N N 0 2.065 -3.823 -0.347
58 H262 H 2H26 N N N 0 1.124 -4.124 -1.827
59 H263 H 3H26 N N N 0 1.632 -2.468 -1.417
60 H271 H 1H27 N N N 0 -3.532 0.985 -0.711
61 H272 H 2H27 N N N 0 -3.779 0.941 1.05
62 H273 H 3H27 N N N 0 -2.503 1.969 0.356
63 H231 H 1H23 N N N 0 -5.37 1.1 4.415
64 H232 H 2H23 N N N 0 -4.22 0.72 5.719
65 H171 H 1H17 N N N 0 3.083 -0.964 4.186
66 H172 H 2H17 N N N 0 2.959 0.792 4.441
67 H8 H H8 N N N 0 1.534 2.679 -8.429
68 H241 H 1H24 N N N 0 -5.947 2.322 6.494
69 H242 H 2H24 N N N 0 -4.331 3.07 6.502
70 H243 H 3H24 N N N 0 -5.481 3.45 5.198
71 H251 H 1H25 N N N 0 -1.953 1.769 5.731
72 H252 H 2H25 N N N 0 -1.487 2.897 4.435
73 H253 H 3H25 N N N 0 -2.699 3.383 5.645
74 H181 H 1H18 N N N 0 4.94 1.143 2.993
75 H182 H 2H18 N N N 0 5.065 -0.613 2.737
76 H191 H 1H19 N N N 0 5.378 -0.946 5.174
77 H192 H 2H19 N N N 0 5.253 0.81 5.43
78 H281 H 1H28 N N N 0 7.235 1.162 3.981
79 H282 H 2H28 N N N 0 7.359 -0.594 3.726
80 H291 H 1H29 N N N 0 8.917 0.158 5.501
81 H292 H 2H29 N N N 0 7.547 0.829 6.419
82 H293 H 3H29 N N N 0 7.672 -0.927 6.163