Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : SB3

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 C1 C C1 N N N 0 -0.903 0.247 -0.023
2 C2 C C2 S N N 0 -2.081 -0.446 0.609
3 C3 C C3 N N N 0 -3.341 0.392 0.401
4 C4 C C4 N N N 0 -4.507 -0.245 1.16
5 C5 C C5 N N N 0 -4.188 -0.278 2.656
6 C6 C C6 N N N 0 -2.936 -1.13 2.888
7 N7 N N7 N N N 0 -1.847 -0.609 2.05
8 O1 O O1 N N N 0 -0.471 1.267 0.459
9 O2 O O2 N N N 0 -0.332 -0.268 -1.123
10 C8 C C8 N N N 0 -0.658 -0.282 2.594
11 O3 O O3 N N N 0 0.345 -0.298 1.912
12 C9 C C9 N N N 0 -0.576 0.1 4.033
13 O4 O O4 N N N 0 -1.587 0.233 4.68
14 C10 C C10 N N N 0 0.766 0.32 4.679
15 C11 C C11 N N N 0 0.57 0.701 6.147
16 C12 C C12 N N N 0 1.934 0.924 6.803
17 C13 C C13 N N N 0 1.502 1.449 3.954
18 C14 C C14 N N N 0 1.591 -0.964 4.59
19 C15 C C15 R N N 0 0.803 0.4 -1.733
20 C16 C C16 N N N 0 0.803 0.133 -3.239
21 C17 C C17 N N N 0 -0.492 0.669 -3.852
22 C18 C C18 N Y N 0 -0.492 0.407 -5.336
23 C19 C C19 N Y N 0 -1.018 -0.772 -5.829
24 C20 C C20 N Y N 0 -1.018 -1.012 -7.19
25 C21 C C21 N Y N 0 -0.492 -0.074 -8.058
26 C22 C C22 N Y N 0 0.032 1.105 -7.565
27 C23 C C23 N Y N 0 0.028 1.348 -6.204
28 C24 C C24 N Y N 0 2.08 -0.127 -1.129
29 C25 C C25 N Y N 0 2.139 -1.427 -0.665
30 C26 C C26 N Y N 0 3.31 -1.911 -0.112
31 C27 C C27 N Y N 0 4.421 -1.094 -0.023
32 C28 C C28 N Y N 0 4.362 0.206 -0.488
33 C29 C C29 N Y N 0 3.193 0.688 -1.045
34 H2 H H2 N N N 0 -2.216 -1.426 0.153
35 H31 H 1H3 N N N 0 -3.579 0.437 -0.66
36 H32 H 2H3 N N N 0 -3.17 1.4 0.779
37 H41 H 1H4 N N N 0 -4.662 -1.262 0.799
38 H42 H 2H4 N N N 0 -5.412 0.339 0.994
39 H51 H 1H5 N N N 0 -5.028 -0.712 3.198
40 H52 H 2H5 N N N 0 -4.009 0.735 3.012
41 H61 H 1H6 N N N 0 -3.142 -2.165 2.617
42 H62 H 2H6 N N N 0 -2.646 -1.076 3.938
43 H111 H 1H11 N N N 0 0.046 -0.103 6.664
44 H112 H 2H11 N N N 0 -0.017 1.616 6.21
45 H121 H 1H12 N N N 0 1.794 1.195 7.85
46 H122 H 2H12 N N N 0 2.522 0.009 6.741
47 H123 H 3H12 N N N 0 2.458 1.729 6.287
48 H131 H 1H13 N N N 0 0.914 2.365 4.016
49 H132 H 2H13 N N N 0 2.473 1.609 4.421
50 H133 H 3H13 N N N 0 1.642 1.179 2.907
51 H141 H 1H14 N N N 0 1.068 -1.768 5.107
52 H142 H 2H14 N N N 0 1.732 -1.235 3.544
53 H143 H 3H14 N N N 0 2.563 -0.805 5.058
54 H15 H H15 N N N 0 0.733 1.473 -1.553
55 H161 H 1H16 N N N 0 1.656 0.635 -3.697
56 H162 H 2H16 N N N 0 0.874 -0.938 -3.419
57 H171 H 1H17 N N N 0 -1.344 0.167 -3.394
58 H172 H 2H17 N N N 0 -0.562 1.742 -3.672
59 H19 H H19 N N N 0 -1.428 -1.505 -5.151
60 H20 H H20 N N N 0 -1.428 -1.934 -7.576
61 H21 H H21 N N N 0 -0.492 -0.262 -9.122
62 H22 H H22 N N N 0 0.443 1.839 -8.243
63 H23 H H23 N N N 0 0.438 2.269 -5.818
64 H25 H H25 N N N 0 1.271 -2.066 -0.735
65 H26 H H26 N N N 0 3.356 -2.927 0.25
66 H29 H H29 N N N 0 3.146 1.704 -1.408
67 H27 H H27 N N N 0 5.336 -1.472 0.409
68 H28 H H28 N N N 0 5.23 0.844 -0.418