Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JY

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 68


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O2 O O2 N N N 0 -1.534 2.043 -7.7
2 C1 C C1 N N N 0 -2.467 -0.648 -5.249
3 C2 C C2 N N N 0 -2.381 0.067 -6.601
4 C3 C C3 S N N 0 -1.49 1.303 -6.478
5 C4 C C4 N N N 0 -0.047 0.877 -6.192
6 C5 C C5 N N N 0 -0.037 0.048 -4.923
7 C6 C C6 N N N 0 0.864 0.265 -3.943
8 C7 C C7 N N N 0 0.842 -0.556 -2.731
9 C8 C C8 N N N 0 1.733 -0.341 -1.764
10 C9 C C9 N N N 0 2.797 0.742 -1.861
11 C10 C C10 N N N 0 -1.058 -1.013 -4.813
12 C11 C C11 N N N 0 2.807 1.604 -0.6
13 C12 C C12 N N N 0 2.823 0.746 0.676
14 C13 C C13 R N N 0 1.6 -0.133 0.664
15 C14 C C14 S N N 0 1.759 -1.151 -0.501
16 C15 C C15 N N N 0 0.567 -2.079 -0.255
17 C16 C C16 N N N 0 0.589 -2.264 1.288
18 C17 C C17 R N N 0 1.32 -1.023 1.865
19 C18 C C18 N N N 0 0.365 0.721 0.373
20 C19 C C19 N N N 0 -0.763 -2.228 -4.349
21 C20 C C20 R N N 0 0.423 -0.297 2.868
22 C21 C C21 N N N 0 1.134 0.96 3.372
23 C22 C C22 N N N 0 0.125 -1.222 4.05
24 C23 C C23 N Y N 0 -2.948 0.063 5.827
25 C24 C C24 N Y N 0 -2.389 0.806 6.85
26 C25 C C25 N Y N 0 -1.009 0.893 6.968
27 C26 C C26 N Y N 0 -0.194 0.23 6.061
28 C27 C C27 N Y N 0 -0.758 -0.506 5.038
29 C28 C C28 N Y N 0 -2.134 -0.591 4.922
30 O1 O O1 N N N 0 -0.457 1.622 7.973
31 HO21 H 1HO2 N N N 0 -0.965 2.815 -7.579
32 H11 H 1H1 N N N 0 -2.923 0.012 -4.513
33 H12 H 2H1 N N N 0 -3.065 -1.554 -5.351
34 H21 H 1H2 N N N 0 -3.38 0.37 -6.915
35 H22 H 2H2 N N N 0 -1.959 -0.61 -7.344
36 H31 H 1H3 N N N 0 -1.852 1.93 -5.662
37 H41 H 1H4 N N N 0 0.576 1.76 -6.058
38 H42 H 2H4 N N N 0 0.331 0.281 -7.022
39 H61 H 1H6 N N N 0 1.603 1.046 -4.053
40 H71 H 1H7 N N N 0 0.104 -1.337 -2.622
41 H91 H 1H9 N N N 0 3.774 0.276 -1.985
42 H92 H 2H9 N N N 0 2.589 1.373 -2.725
43 H111 H 1H11 N N N 0 3.692 2.24 -0.611
44 H112 H 2H11 N N N 0 1.918 2.235 -0.594
45 H121 H 1H12 N N N 0 3.716 0.123 0.692
46 H122 H 2H12 N N N 0 2.804 1.391 1.555
47 H141 H 1H14 N N N 0 2.698 -1.697 -0.414
48 H151 H 1H15 N N N 0 0.71 -3.034 -0.761
49 H152 H 2H15 N N N 0 -0.361 -1.607 -0.574
50 H161 H 1H16 N N N 0 1.132 -3.173 1.548
51 H162 H 2H16 N N N 0 -0.428 -2.311 1.673
52 H171 H 1H17 N N N 0 2.255 -1.322 2.341
53 H181 H 1H18 N N N 0 0.482 1.213 -0.591
54 H182 H 2H18 N N N 0 -0.519 0.085 0.352
55 H183 H 3H18 N N N 0 0.252 1.474 1.153
56 H191 H 1H19 N N N 0 0.246 -2.46 -4.046
57 H192 H 2H19 N N N 0 -1.535 -2.98 -4.276
58 H201 H 1H20 N N N 0 -0.511 -0.015 2.382
59 H211 H 1H21 N N N 0 2.069 0.679 3.857
60 H212 H 2H21 N N N 0 1.346 1.619 2.53
61 H213 H 3H21 N N N 0 0.495 1.478 4.086
62 H221 H 1H22 N N N 0 -0.381 -2.118 3.691
63 H222 H 2H22 N N N 0 1.059 -1.503 4.535
64 H231 H 1H23 N N N 0 -4.022 -0.004 5.735
65 H241 H 1H24 N N N 0 -3.025 1.318 7.556
66 H261 H 1H26 N N N 0 0.879 0.295 6.151
67 H281 H 1H28 N N N 0 -2.573 -1.171 4.124
68 HO11 H 1HO1 N N N 0 -0.342 1.023 8.723