Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 05S

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 62


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 -2.95 3.307 0.285
2 C2 C C2 N Y N 0 -2.38 1.917 0.159
3 C3 C C3 N Y N 0 -1.079 1.554 0.29
4 N1 N N1 N Y N 0 -0.955 0.209 0.069
5 C4 C C4 N Y N 0 -2.183 -0.339 -0.058
6 C5 C C5 N Y N 0 -3.114 0.694 -0.091
7 C6 C C6 N N N 0 -4.538 0.468 -0.346
8 O1 O O1 N N N 0 -5.343 1.375 -0.341
9 C7 C C7 N N N 0 -4.962 -0.96 -0.62
10 C8 C C8 N N N 0 -4.103 -1.916 0.203
11 C9 C C9 N N N 0 -2.618 -1.778 -0.137
12 C10 C C10 N N N 0 -4.545 -3.354 -0.097
13 C11 C C11 N N N 0 -4.317 -1.643 1.694
14 C12 C C12 N Y N 0 0.233 -0.529 -0.047
15 C13 C C13 N Y N 0 0.177 -1.902 -0.294
16 C14 C C14 N Y N 0 1.307 -2.667 -0.332
17 C15 C C15 N Y N 0 2.565 -2.08 -0.16
18 C16 C C16 N Y N 0 2.649 -0.691 0.01
19 C17 C C17 N Y N 0 1.483 0.066 0.029
20 N2 N N2 N N N 0 3.889 -0.069 0.157
21 C18 C C18 S N N 0 3.951 1.326 0.618
22 C19 C C19 N N N 0 3.674 2.276 -0.545
23 N3 N N3 N N N 0 2.629 3.254 -0.111
24 C20 C C20 N N N 0 1.574 3.236 -1.167
25 C21 C C21 N N N 0 0.22 3.507 -0.52
26 C22 C C22 N N N 0 -0.027 2.569 0.659
27 C23 C C23 N N N 0 5.347 1.607 1.181
28 C24 C C24 N N N 0 3.768 -2.928 -0.172
29 O2 O O2 N N N 0 4.866 -2.428 -0.023
30 N4 N N4 N N N 0 3.653 -4.26 -0.348
31 H1 H H1 N N N 0 -2.944 3.792 -0.691
32 H2 H H2 N N N 0 -3.973 3.249 0.656
33 H3 H H3 N N N 0 -2.344 3.886 0.982
34 H4 H H4 N N N 0 -6.01 -1.086 -0.35
35 H5 H H5 N N N 0 -4.832 -1.178 -1.68
36 H6 H H6 N N N 0 -2.439 -2.163 -1.142
37 H7 H H7 N N N 0 -2.046 -2.368 0.59
38 H8 H H8 N N N 0 -4.415 -3.56 -1.16
39 H9 H H9 N N N 0 -3.939 -4.05 0.484
40 H10 H H10 N N N 0 -5.595 -3.475 0.17
41 H11 H H11 N N N 0 -5.367 -1.793 1.943
42 H12 H H12 N N N 0 -3.703 -2.326 2.28
43 H13 H H13 N N N 0 -4.033 -0.615 1.919
44 H14 H H14 N N N 0 -0.754 -2.395 -0.509
45 H15 H H15 N N N 0 1.228 -3.733 -0.494
46 H16 H H16 N N N 0 1.583 1.137 0.03
47 H17 H H17 N N N 0 4.718 -0.534 -0.049
48 H18 H H18 N N N 0 3.211 1.482 1.403
49 H19 H H19 N N N 0 4.573 2.828 -0.8
50 H20 H H20 N N N 0 3.303 1.725 -1.401
51 H21 H H21 N N N 0 3.113 4.185 -0.3
52 H23 H H23 N N N 0 1.806 4.018 -1.886
53 H24 H H24 N N N 0 1.574 2.265 -1.649
54 H25 H H25 N N N 0 0.185 4.542 -0.171
55 H26 H H26 N N N 0 -0.564 3.364 -1.268
56 H27 H H27 N N N 0 -0.427 3.177 1.492
57 H28 H H28 N N N 0 0.876 2.118 1.024
58 H29 H H29 N N N 0 6.092 1.445 0.402
59 H30 H H30 N N N 0 5.399 2.64 1.524
60 H31 H H31 N N N 0 5.544 0.936 2.017
61 H32 H H32 N N N 0 2.777 -4.659 -0.466
62 H33 H H33 N N N 0 4.445 -4.818 -0.356