Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : S1P

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 63


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -6.232 0.235 -0.103
2 O1 O O1 N N N 0 -6.676 -1.041 0.364
3 C2 C C2 S N N 0 -4.845 0.533 0.47
4 N2 N N2 N N N 0 -4.935 0.664 1.93
5 C3 C C3 R N N 0 -4.317 1.839 -0.127
6 O3 O O3 N N N 0 -4.228 1.712 -1.548
7 C4 C C4 N N N 0 -2.95 2.133 0.437
8 C5 C C5 N N N 0 -1.937 2.329 -0.37
9 C6 C C6 N N N 0 -0.571 2.622 0.194
10 C7 C C7 N N N 0 0.438 1.615 -0.362
11 C8 C C8 N N N 0 1.825 1.913 0.21
12 C9 C C9 N N N 0 2.833 0.905 -0.345
13 C10 C C10 N N N 0 4.221 1.204 0.227
14 C11 C C11 N N N 0 5.229 0.196 -0.329
15 C12 C C12 N N N 0 6.616 0.494 0.244
16 C13 C C13 N N N 0 7.625 -0.513 -0.312
17 C14 C C14 N N N 0 9.012 -0.215 0.26
18 C15 C C15 N N N 0 10.02 -1.223 -0.295
19 C16 C C16 N N N 0 11.407 -0.924 0.277
20 C17 C C17 N N N 0 12.416 -1.932 -0.279
21 C18 C C18 N N N 0 13.803 -1.634 0.294
22 P22 P P22 N N N 0 -8.098 -1.677 -0.041
23 O23 O O23 N N N 0 -8.123 -1.972 -1.624
24 O24 O O24 N N N 0 -8.32 -3.052 0.765
25 O25 O O25 N N N 0 -9.179 -0.725 0.3
26 H1 H H1 N N N 0 -6.181 0.226 -1.191
27 H1A H H1A N N N 0 -6.932 1.004 0.222
28 H2 H H2 N N N 0 -4.165 -0.282 0.219
29 HN2 H HN2 N N N 0 -4.022 0.797 2.339
30 HN2A H HN2A N N N 0 -5.56 1.413 2.188
31 H3 H H3 N N N 0 -4.996 2.654 0.123
32 HO3 H HO3 N N N 0 -3.639 1.004 -1.844
33 H4 H H4 N N N 0 -2.806 2.182 1.506
34 H5 H H5 N N N 0 -2.081 2.28 -1.439
35 H6 H H6 N N N 0 -0.27 3.631 -0.089
36 H6A H H6A N N N 0 -0.601 2.544 1.28
37 H7 H H7 N N N 0 0.137 0.606 -0.079
38 H7A H H7A N N N 0 0.469 1.693 -1.449
39 H8 H H8 N N N 0 2.126 2.922 -0.073
40 H8A H H8A N N N 0 1.794 1.834 1.297
41 H9 H H9 N N N 0 2.533 -0.103 -0.062
42 H9A H H9A N N N 0 2.864 0.984 -1.432
43 H10 H H10 N N N 0 4.521 2.212 -0.056
44 H10A H H10A N N N 0 4.19 1.125 1.314
45 H11 H H11 N N N 0 4.928 -0.813 -0.046
46 H11A H H11A N N N 0 5.26 0.275 -1.416
47 H12 H H12 N N N 0 6.917 1.503 -0.039
48 H12A H H12A N N N 0 6.585 0.416 1.33
49 H13 H H13 N N N 0 7.324 -1.522 -0.029
50 H13A H H13A N N N 0 7.655 -0.435 -1.399
51 H14 H H14 N N N 0 9.312 0.794 -0.023
52 H14A H H14A N N N 0 8.981 -0.294 1.347
53 H15 H H15 N N N 0 9.72 -2.231 -0.012
54 H15A H H15A N N N 0 10.051 -1.144 -1.382
55 H16 H H16 N N N 0 11.708 0.084 -0.0060
56 H16A H H16A N N N 0 11.377 -1.003 1.364
57 H17 H H17 N N N 0 12.115 -2.941 0.0040
58 H17A H H17A N N N 0 12.447 -1.854 -1.365
59 H18 H H18 N N N 0 14.104 -0.625 0.011
60 H18A H H18A N N N 0 13.772 -1.712 1.38
61 H18B H H18B N N N 0 14.521 -2.352 -0.102
62 HO23 H HO23 N N N 0 -7.44 -2.589 -1.919
63 HO24 H HO24 N N N 0 -9.159 -3.492 0.569