Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IQ3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N Y N 0 1.888 -3.113 -0.098
2 C11 C C2 N N N 0 1.241 -4.437 0.218
3 C13 C C3 N N N 0 0.942 -5.374 -0.954
4 C19 C C4 N Y N 0 3.863 -1.826 -0.508
5 C20 C C5 N Y N 0 3.775 1.472 0.068
6 C22 C C6 N Y N 0 3.269 -3.04 -0.219
7 C23 C C7 N Y N 0 4.131 3.259 2.028
8 C24 C C8 N Y N 0 -1.024 2.259 -1.623
9 C25 C C9 N Y N 0 -3.481 2.434 -0.438
10 C26 C C10 N Y N 0 3.397 1.182 1.377
11 C27 C C11 N Y N 0 4.343 2.716 -0.194
12 C28 C C12 N N N 0 -4.93 -1.256 1.59
13 C1 C C13 N Y N 0 1.657 -0.859 -0.537
14 N2 N N1 N Y N 0 1.135 -2.049 -0.258
15 C3 C C14 N N N 0 -3.117 0.308 0.834
16 C4 C C15 N N N 0 0.771 0.311 -0.703
17 C5 C C16 N Y N 0 -2.665 1.343 -0.119
18 N6 N N2 N N N 0 -0.548 0.198 -0.453
19 C7 C C17 N Y N 0 3.044 -0.707 -0.669
20 C8 C C18 N Y N 0 -1.403 1.26 -0.732
21 N9 N N3 N N N 0 -4.379 -0.16 0.772
22 N12 N N4 N N N 0 3.594 0.536 -0.954
23 C14 C C19 N N N 0 2.081 -5.7 0.014
24 O15 O O1 N N N 0 -2.35 -0.12 1.675
25 O16 O O2 N N N 0 1.232 1.376 -1.064
26 N17 N N5 N Y N 0 3.589 2.093 2.317
27 N18 N N6 N Y N 0 4.502 3.571 0.802
28 N21 N N7 N Y N 0 -1.827 3.268 -1.885
29 C29 C C20 N N N 0 -5.434 0.336 -0.124
30 C30 C C21 N Y N 0 -3.018 3.38 -1.33
31 C31 C C22 N N N 0 -6.115 -1.812 0.761
32 C32 C C23 N N N 0 -6.694 -0.515 0.137
33 H1 H H1 N N N 0 0.536 -4.43 1.049
34 H2 H H2 N N N 0 0.04 -5.984 -0.894
35 H3 H H3 N N N 0 1.213 -5.033 -1.953
36 H4 H H4 N N N 0 4.935 -1.745 -0.607
37 H5 H H5 N N N 0 3.874 -3.925 -0.089
38 H6 H H6 N N N 0 4.274 3.981 2.819
39 H7 H H7 N N N 0 -0.057 2.208 -2.102
40 H8 H H8 N N N 0 -4.458 2.537 0.01
41 H9 H H9 N N N 0 2.952 0.229 1.621
42 H10 H H10 N N N 0 4.65 2.978 -1.196
43 H11 H H11 N N N 0 -4.178 -2.03 1.743
44 H12 H H12 N N N 0 -5.283 -0.876 2.548
45 H13 H H13 N N N 0 -0.903 -0.624 -0.08
46 H14 H H14 N N N 0 3.853 0.754 -1.863
47 H15 H H15 N N N 0 3.101 -5.573 -0.348
48 H16 H H16 N N N 0 1.928 -6.523 0.711
49 H17 H H17 N N N 0 -5.642 1.383 0.093
50 H18 H H18 N N N 0 -5.121 0.226 -1.162
51 H19 H H19 N N N 0 -3.643 4.225 -1.58
52 H20 H H20 N N N 0 -5.764 -2.495 -0.012
53 H21 H H21 N N N 0 -6.848 -2.297 1.405
54 H22 H H22 N N N 0 -7.36 -0.013 0.839
55 H23 H H23 N N N 0 -7.212 -0.735 -0.797