Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1O9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 67


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C10 N N N 0 -2.093 2.772 -1.923
2 C11 C C11 N N N 0 -2.537 3.986 -2.743
3 C12 C C12 N N N 0 -0.666 2.386 -2.317
4 C13 C C13 N N N 0 0.577 1.95 0.365
5 C15 C C15 N Y N 0 1.863 1.253 0.148
6 C16 C C16 N Y N 0 1.882 -0.117 -0.115
7 C17 C C17 N Y N 0 3.085 -0.761 -0.316
8 C18 C C18 N Y N 0 4.272 -0.052 -0.258
9 C19 C C19 N Y N 0 4.26 1.307 0.0030
10 C2 C C2 S N N 0 -1.928 1.849 0.392
11 C20 C C20 N Y N 0 3.063 1.964 0.2
12 C21 C C21 N Y N 0 -0.614 -1.075 0.717
13 C23 C C23 N Y N 0 -0.207 -2.934 2.278
14 C24 C C24 N Y N 0 -0.992 -1.95 2.728
15 C26 C C26 N Y N 0 -2.664 -1.508 -1.08
16 C28 C C28 N Y N 0 -3.088 -3.428 -2.251
17 C29 C C29 N Y N 0 -3.624 -4.004 -1.112
18 C3 C C3 N N N 0 -2.945 0.771 -0.038
19 C31 C C31 N Y N 0 -3.195 -2.085 0.06
20 C32 C C32 N N N 0 5.582 -0.762 -0.478
21 C33 C C33 N N N 0 5.752 -1.858 0.576
22 C34 C C34 N N N 0 5.593 -1.391 -1.873
23 C35 C C35 N N N 0 6.732 0.241 -0.362
24 C4 C C4 S N N 0 -2.131 -0.099 -1.032
25 C5 C C5 R N N 0 -0.72 -0.062 -0.393
26 C6 C C6 N N N 0 -2.093 2.157 1.858
27 C9 C C9 N N N 0 -2.135 3.119 -0.434
28 H1 H H1 N N N 0 -3.266 0.179 0.819
29 H10 H H10 N N N 0 -2.506 3.739 -3.804
30 H11 H H11 N N N 0 -3.553 4.261 -2.463
31 H12 H H12 N N N 0 0.026 3.159 -1.981
32 H13 H H13 N N N 0 -0.405 1.436 -1.849
33 H14 H H14 N N N 0 -0.601 2.287 -3.4
34 H15 H H15 N N N 0 0.957 -0.672 -0.16
35 H16 H H16 N N N 0 3.101 -1.822 -0.52
36 H17 H H17 N N N 0 5.19 1.855 0.047
37 H18 H H18 N N N 0 3.055 3.026 0.399
38 H19 H H19 N N N 0 0.076 -3.821 2.825
39 H2 H H2 N N N 0 -3.801 1.226 -0.536
40 H20 H H20 N N N 0 -1.425 -1.955 3.717
41 H21 H H21 N N N 0 -3.053 -3.988 -3.174
42 H22 H H22 N N N 0 -4.007 -5.013 -1.146
43 H23 H H23 N N N 0 -3.227 -1.527 0.984
44 H24 H H24 N N N 0 4.933 -2.572 0.493
45 H25 H H25 N N N 0 6.7 -2.372 0.416
46 H26 H H26 N N N 0 5.744 -1.41 1.57
47 H27 H H27 N N N 0 5.472 -0.61 -2.624
48 H28 H H28 N N N 0 6.541 -1.904 -2.033
49 H29 H H29 N N N 0 4.774 -2.105 -1.957
50 H3 H H3 N N N 0 -2.122 0.348 -2.026
51 H30 H H30 N N N 0 6.724 0.688 0.632
52 H31 H H31 N N N 0 7.68 -0.273 -0.521
53 H32 H H32 N N N 0 6.611 1.021 -1.113
54 H4 H H4 N N N 0 0.041 -0.248 -1.151
55 H5 H H5 N N N 0 -1.212 2.824 3.499
56 H6 H H6 N N N 0 -3.103 3.557 -0.19
57 H7 H H7 N N N 0 -1.345 3.835 -0.205
58 H8 H H8 N N N 0 -2.763 1.936 -2.121
59 H9 H H9 N N N 0 -1.866 4.822 -2.546
60 N1 N N1 N N N 0 -0.585 1.305 0.144
61 N25 N N25 N Y N 0 -1.185 -0.969 1.87
62 N27 N N27 N Y N 0 -2.621 -2.193 -2.209
63 N30 N N30 N Y N 0 -3.668 -3.319 0.017
64 O14 O O14 N N N 0 0.568 3.106 0.742
65 O7 O O7 N N N 0 -3.157 1.969 2.399
66 O8 O O8 N N N 0 -1.058 2.641 2.562
67 S22 S S22 N Y N 0 0.285 -2.527 0.636