Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DUO

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 64


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 0.952 -0.489 5.673
2 C2 C C2 R N N 0 -0.48 -0.52 5.999
3 C3 C C3 N N N 0 -1.201 -0.411 4.674
4 C4 C C4 N Y N 0 -0.14 -0.321 3.658
5 C8 C C8 N Y N 0 0.941 -0.138 1.506
6 C5 C C5 N Y N 0 1.105 -0.372 4.297
7 C6 C C6 N Y N 0 2.266 -0.304 3.519
8 C7 C C7 N Y N 0 2.184 -0.189 2.149
9 C9 C C9 N Y N 0 -0.21 -0.204 2.261
10 C10 C C10 N N N 0 -2.248 -1.399 1.444
11 C11 C C11 S N N 0 -1.403 -0.128 1.335
12 C12 C C12 N N N 0 -0.793 -0.009 -0.07
13 N13 N N13 N N N 0 0.656 -0.023 0.139
14 C14 C C14 N N N 0 1.58 0.059 -0.838
15 C15 C C15 N Y N 0 1.161 0.067 -2.245
16 C16 C C16 N Y N 0 1.997 0.041 -3.317
17 C17 C C17 N Y N 0 1.201 0.055 -4.487
18 C18 C C18 N Y N 0 1.508 0.039 -5.857
19 C19 C C19 N Y N 0 0.492 0.067 -6.786
20 C20 C C20 N Y N 0 -0.842 0.111 -6.372
21 C21 C C21 N Y N 0 -1.159 0.129 -5.025
22 C22 C C22 N Y N 0 -0.141 0.1 -4.071
23 N23 N N23 N Y N 0 -0.146 0.107 -2.693
24 O24 O O24 N N N 0 0.788 0.051 -8.114
25 C25 C C25 N N N 0 2.213 0.005 -8.218
26 O26 O O26 N N N 0 -1.836 0.138 -7.3
27 C27 C C27 N N N 0 -2.017 1.506 -7.672
28 O28 O O28 N N N 0 -2.461 0.172 -4.632
29 C29 C C29 N N N 0 -2.864 -1.177 -4.392
30 O30 O O30 N N N 0 2.761 0.129 -0.554
31 O31 O O31 N N N 0 3.485 -0.351 4.121
32 O32 O O32 N N N 0 -2.4 -0.4 4.487
33 C33 C C33 N N N 0 -0.837 -1.838 6.689
34 C34 C C34 N N N 0 -0.839 0.644 6.885
35 O35 O O35 N N N 0 -1.932 1.153 6.801
36 O36 O O36 N N N 0 0.055 1.117 7.767
37 C37 C C37 N N N 0 -0.29 2.24 8.62
38 H1 H H1 N N N 0 1.323 0.357 6.079
39 H7 H H7 N N N 0 3.089 -0.138 1.563
40 H101 H 1H10 N N N 0 -3.068 -1.353 0.728
41 H102 H 2H10 N N N 0 -1.626 -2.268 1.229
42 H103 H 3H10 N N N 0 -2.651 -1.482 2.454
43 H11 H H11 N N N 0 -2.007 0.749 1.564
44 H121 H 1H12 N N N 0 -1.099 0.927 -0.537
45 H122 H 2H12 N N N 0 -1.095 -0.856 -0.687
46 H16 H H16 N N N 0 3.076 0.008 -3.282
47 H18 H H18 N N N 0 2.537 0.005 -6.181
48 H23 H H23 N N N 0 -0.935 0.135 -2.13
49 H251 H 1H25 N N N 0 2.5 -0.008 -9.269
50 H252 H 2H25 N N N 0 2.641 0.884 -7.736
51 H253 H 3H25 N N N 0 2.584 -0.894 -7.728
52 H271 H 1H27 N N N 0 -2.745 1.57 -8.48
53 H272 H 2H27 N N N 0 -2.378 2.072 -6.813
54 H273 H 3H27 N N N 0 -1.066 1.921 -8.007
55 H291 H 1H29 N N N 0 -3.928 -1.202 -4.159
56 H292 H 2H29 N N N 0 -2.672 -1.777 -5.282
57 H293 H 3H29 N N N 0 -2.298 -1.582 -3.553
58 H31 H H31 N N N 0 3.738 -1.284 4.167
59 H331 H 1H33 N N N 0 -0.295 -1.913 7.632
60 H332 H 2H33 N N N 0 -1.909 -1.868 6.883
61 H333 H 3H33 N N N 0 -0.562 -2.672 6.044
62 H371 H 1H37 N N N 0 0.555 2.48 9.265
63 H372 H 2H37 N N N 0 -0.533 3.104 8.003
64 H373 H 3H37 N N N 0 -1.152 1.978 9.234