Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 827

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 71


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C13 C C1 S N N 0 -2.694 1.095 -0.266
2 C15 C C2 R N N 0 -4.652 -0.182 -0.804
3 C20 C C3 R N N 0 -4.827 1.61 0.925
4 C22 C C4 R N N 0 -3.535 2.21 0.361
5 C24 C C5 S N N 0 -1.494 -2.091 1.096
6 C02 C C6 R N N 0 4.641 1.422 -1.204
7 C04 C C7 N N N 0 3.281 0.925 -1.703
8 C06 C C8 R N N 0 3.458 -1.088 -0.411
9 C11 C C9 R N N 0 -1.321 -0.776 0.332
10 O17 O O1 N N N 0 -4.557 -1.943 -2.457
11 C18 C C10 S N N 0 -5.571 0.882 -0.199
12 C27 C C11 R N N 0 0.967 -2.496 0.957
13 C09 C C12 S N N 0 0.06 -0.191 0.632
14 C31 C C13 R N N 0 4.9 0.857 0.196
15 C01 C C14 N N N 0 4.637 2.951 -1.148
16 C16 C C15 N N N 0 -5.367 -0.873 -1.967
17 O14 O O2 N N N 0 -3.457 0.439 -1.281
18 O12 O O3 N N N 0 -2.33 0.149 0.742
19 C26 C C16 N N N 0 -0.414 -3.082 0.658
20 C08 C C17 S N N 0 1.14 -1.182 0.193
21 O10 O O4 N N N 0 0.223 1.037 -0.081
22 O07 O O5 N N N 0 2.431 -0.635 0.474
23 C29 C C18 R N N 0 4.825 -0.672 0.139
24 O05 O O6 N N N 0 3.268 -0.504 -1.701
25 O03 O O7 N N N 0 5.666 0.979 -2.096
26 N32 N N1 N N N 0 6.234 1.269 0.652
27 C33 C C19 N N N 0 6.307 1.285 2.119
28 O30 O O8 N N N 0 4.994 -1.207 1.454
29 N28 N N2 N N N 0 2.004 -3.448 0.536
30 N25 N N3 N N N 0 -2.821 -2.653 0.808
31 N23 N N4 N N N 0 -2.776 2.847 1.446
32 O21 O O9 N N N 0 -5.651 2.654 1.447
33 O19 O O10 N N N 0 -6.742 0.256 0.331
34 H1 H H1 N N N 0 -1.794 1.522 -0.706
35 H2 H H2 N N N 0 -4.4 -0.92 -0.043
36 H3 H H3 N N N 0 -4.585 0.904 1.72
37 H4 H H4 N N N 0 -3.78 2.953 -0.398
38 H5 H H5 N N N 0 -1.403 -1.904 2.166
39 H7 H H7 N N N 0 3.11 1.289 -2.716
40 H6 H H6 N N N 0 2.495 1.296 -1.045
41 H8 H H8 N N N 0 3.414 -2.174 -0.493
42 H9 H H9 N N N 0 -1.412 -0.963 -0.738
43 H10 H H10 N N N 0 -4.949 -2.427 -3.196
44 H11 H H11 N N N 0 -5.857 1.598 -0.97
45 H12 H H12 N N N 0 1.058 -2.31 2.027
46 H13 H H13 N N N 0 0.152 -0.004 1.702
47 H14 H H14 N N N 0 4.146 1.234 0.886
48 H15 H H15 N N N 0 4.449 3.351 -2.144
49 H16 H H16 N N N 0 3.854 3.287 -0.468
50 H17 H H17 N N N 0 5.604 3.303 -0.791
51 H18 H H18 N N N 0 -6.323 -1.269 -1.622
52 H19 H H19 N N N 0 -5.541 -0.153 -2.766
53 H20 H H20 N N N 0 -0.538 -4.018 1.202
54 H21 H H21 N N N 0 -0.506 -3.269 -0.412
55 H22 H H22 N N N 0 1.049 -1.369 -0.877
56 H23 H H23 N N N 0 1.033 1.515 0.139
57 H24 H H24 N N N 0 5.611 -1.051 -0.513
58 H25 H H25 N N N 0 5.562 1.296 -3.003
59 H26 H H26 N N N 0 6.487 2.167 0.268
60 H28 H H28 N N N 0 5.572 1.987 2.512
61 H29 H H29 N N N 0 6.099 0.286 2.504
62 H30 H H30 N N N 0 7.306 1.593 2.43
63 H31 H H31 N N N 0 4.952 -2.172 1.494
64 H32 H H32 N N N 0 1.911 -4.325 1.027
65 H33 H H33 N N N 0 1.982 -3.588 -0.463
66 H35 H H35 N N N 0 -2.919 -3.572 1.212
67 H36 H H36 N N N 0 -3.552 -2.036 1.129
68 H38 H H38 N N N 0 -1.916 3.246 1.099
69 H39 H H39 N N N 0 -3.334 3.543 1.917
70 H41 H H41 N N N 0 -6.489 2.345 1.818
71 H42 H H42 N N N 0 -7.261 -0.228 -0.326