Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IOG

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 78


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 11.099 4.253 2.828
2 C2 C C2 N Y N 0 11.461 3.188 2.017
3 C3 C C3 N Y N 0 12.785 2.749 2.012
4 C4 C C4 N Y N 0 13.731 3.381 2.818
5 O5 O O5 N N N 0 15.023 2.952 2.815
6 C6 C C6 N Y N 0 13.354 4.451 3.629
7 C7 C C7 N Y N 0 12.03 4.89 3.634
8 C8 C C8 N N N 0 9.667 4.726 2.833
9 C9 C C9 N N N 0 9.368 5.816 1.792
10 C10 C C10 N N N 0 7.93 6.36 1.835
11 C11 C C11 N N N 0 7.751 7.486 0.82
12 N12 N N12 N N N 0 6.966 5.316 1.579
13 C13 C C13 N N N 0 5.687 5.331 2.118
14 O14 O O14 N N N 0 5.243 6.21 2.852
15 C15 C C15 N N N 0 4.861 4.118 1.694
16 C16 C C16 N N N 0 3.796 3.744 2.65
17 C17 C C17 N N N 0 3.918 2.868 3.704
18 N18 N N18 N N N 0 2.706 2.798 4.336
19 C19 C C19 N Y N 0 1.795 3.618 3.709
20 C20 C C20 N Y N 0 0.449 3.864 4.002
21 C21 C C21 N Y N 0 -0.232 4.758 3.177
22 C22 C C22 N Y N 0 0.397 5.382 2.105
23 C23 C C23 N Y N 0 1.744 5.126 1.824
24 C24 C C24 N Y N 0 2.458 4.226 2.641
25 C25 C C25 N Y N 0 5.055 2.102 4.16
26 C26 C C26 N Y N 0 5.928 2.646 5.101
27 C27 C C27 N Y N 0 7.026 1.907 5.541
28 C28 C C28 N Y N 0 7.249 0.624 5.041
29 C29 C C29 N Y N 0 6.375 0.081 4.099
30 C30 C C30 N Y N 0 5.277 0.82 3.659
31 O31 O O31 N N N 0 -1.551 5.028 3.43
32 C32 C C32 N N N 0 -1.973 4.946 4.785
33 C33 C C33 N N N 0 -3.12 5.913 5.015
34 N34 N N34 N N N 0 -3.582 5.807 6.398
35 C35 C C35 N N N 0 -2.503 6.165 7.329
36 C36 C C36 N N N 0 -2.955 6.012 8.783
37 C37 C C37 N N N 0 -4.21 6.831 9.063
38 C38 C C38 N N N 0 -5.294 6.511 8.04
39 C39 C C39 N N N 0 -4.768 6.648 6.61
40 H2 H H2 N N N 0 10.73 2.689 1.385
41 H3 H H3 N N N 0 13.072 1.915 1.378
42 HO5 H HO5 N N N 0 15.056 1.984 2.886
43 H6 H H6 N N N 0 14.087 4.947 4.261
44 H7 H H7 N N N 0 11.745 5.724 4.269
45 H81 H 1H8 N N N 0 8.987 3.877 2.698
46 H82 H 2H8 N N N 0 9.444 5.121 3.833
47 H91 H 1H9 N N N 0 9.578 5.429 0.787
48 H92 H 2H9 N N N 0 10.071 6.643 1.961
49 H10 H H10 N N N 0 7.707 6.756 2.831
50 H111 H 1H11 N N N 0 7.999 7.151 -0.193
51 H112 H 2H11 N N N 0 6.719 7.851 0.818
52 H113 H 3H11 N N N 0 8.407 8.33 1.058
53 HN12 H HN12 N N N 0 7.234 4.539 0.982
54 H151 H 1H15 N N N 0 5.562 3.277 1.534
55 H152 H 2H15 N N N 0 4.439 4.34 0.695
56 HN18 H HN18 N N N 0 2.503 2.229 5.147
57 H20 H H20 N N N 0 -0.042 3.378 4.839
58 H22 H H22 N N N 0 -0.153 6.076 1.474
59 H23 H H23 N N N 0 2.225 5.617 0.983
60 H26 H H26 N N N 0 5.768 3.645 5.5
61 H27 H H27 N N N 0 7.707 2.331 6.273
62 H28 H H28 N N N 0 8.104 0.048 5.383
63 H29 H H29 N N N 0 6.548 -0.918 3.71
64 H30 H H30 N N N 0 4.605 0.382 2.925
65 H321 H 1H32 N N N 0 -2.304 3.92 4.975
66 H322 H 2H32 N N N 0 -1.121 5.172 5.434
67 H331 H 1H33 N N N 0 -2.809 6.947 4.835
68 H332 H 2H33 N N N 0 -3.96 5.672 4.355
69 H351 H 1H35 N N N 0 -2.164 7.195 7.153
70 H352 H 2H35 N N N 0 -1.642 5.506 7.164
71 H361 H 1H36 N N N 0 -2.15 6.326 9.456
72 H362 H 2H36 N N N 0 -3.154 4.954 8.996
73 H371 H 1H37 N N N 0 -4.575 6.626 10.075
74 H372 H 2H37 N N N 0 -3.968 7.9 9.017
75 H381 H 1H38 N N N 0 -5.658 5.488 8.202
76 H382 H 2H38 N N N 0 -6.149 7.181 8.186
77 H391 H 1H39 N N N 0 -5.563 6.343 5.919
78 H392 H 2H39 N N N 0 -4.54 7.701 6.4