Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : 1XQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 66


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 -4.438 -4.98 1.249
2 C1 C C1 N N N 0 -4.017 -4.162 2.347
3 C5 C C5 N N N 0 -3.929 -2.346 0.655
4 C2 C C2 N N N 0 -3.192 -2.998 1.796
5 C3 C C3 N N N 0 -5.417 -4.347 0.424
6 C4 C C4 N N N 0 -4.952 -2.975 0.022
7 N1 N N1 N N N 0 -3.561 -1.12 0.262
8 C6 C C6 N N N 0 -4.157 -0.507 -0.725
9 N2 N N2 N N N 0 -5.174 -1.081 -1.397
10 C7 C C7 N N N 0 -5.596 -2.315 -1.048
11 C8 C C8 N N N 0 -3.698 0.873 -1.12
12 N3 N N3 N N N 0 -2.591 1.286 -0.255
13 O2 O O2 N N N 0 -6.515 -2.85 -1.646
14 C9 C C9 N N N 0 -1.32 1.008 -0.607
15 O3 O O3 N N N 0 -1.094 0.415 -1.641
16 C10 C C10 N N N 0 -0.181 1.433 0.283
17 N4 N N4 N N N 0 1.092 1.015 -0.318
18 C11 C C11 N N N 0 1.201 -0.449 -0.358
19 C12 C C12 N N N 0 2.467 -0.848 -1.119
20 C13 C C13 N N N 0 3.688 -0.246 -0.418
21 C14 C C14 N N N 0 3.528 1.275 -0.347
22 C17 C C17 N Y N 0 6.219 -0.736 -0.498
23 C15 C C15 N N N 0 2.231 1.612 0.392
24 C16 C C16 N N N 0 4.934 -0.585 -1.196
25 O4 O O4 N N N 0 4.876 -0.733 -2.399
26 C18 C C18 N Y N 0 7.377 -1.051 -1.218
27 C19 C C19 N Y N 0 8.64 -1.021 0.818
28 C20 C C20 N Y N 0 7.497 -0.703 1.536
29 C21 C C21 N Y N 0 8.577 -1.191 -0.557
30 C22 C C22 N Y N 0 6.29 -0.56 0.888
31 F1 F F1 N N N 0 9.821 -1.16 1.46
32 C23 C C23 N N N 0 -2.865 2.001 0.994
33 C24 C C24 N Y N 0 -2.88 3.485 0.73
34 C25 C C25 N Y N 0 -3.957 4.195 0.393
35 H1 H H1 N N N 0 -4.891 -3.776 2.872
36 C26 C C26 N Y N 0 -3.728 5.547 0.201
37 C27 C C27 N Y N 0 -2.465 5.934 0.381
38 S1 S S1 N Y N 0 -1.48 4.546 0.826
39 H2 H H2 N N N 0 -3.409 -4.754 3.032
40 H3 H H3 N N N 0 -3.027 -2.265 2.586
41 H4 H H4 N N N 0 -2.231 -3.37 1.441
42 H5 H H5 N N N 0 -5.58 -4.949 -0.469
43 H6 H H6 N N N 0 -6.353 -4.26 0.977
44 H10 H H10 N N N 0 -0.192 2.517 0.395
45 H7 H H7 N N N 0 -5.602 -0.61 -2.129
46 H8 H H8 N N N 0 -3.364 0.861 -2.157
47 H9 H H9 N N N 0 -4.525 1.575 -1.013
48 H11 H H11 N N N 0 -0.291 0.965 1.262
49 H13 H H13 N N N 0 1.251 -0.837 0.659
50 H14 H H14 N N N 0 0.328 -0.864 -0.863
51 H15 H H15 N N N 0 2.556 -1.934 -1.135
52 H16 H H16 N N N 0 2.412 -0.471 -2.141
53 H17 H H17 N N N 0 3.766 -0.652 0.59
54 H18 H H18 N N N 0 4.374 1.706 0.189
55 H19 H H19 N N N 0 3.49 1.685 -1.356
56 H20 H H20 N N N 0 2.106 2.695 0.432
57 H21 H H21 N N N 0 2.276 1.214 1.405
58 H22 H H22 N N N 0 7.329 -1.184 -2.289
59 H24 H H24 N N N 0 9.472 -1.434 -1.112
60 H23 H H23 N N N 0 7.552 -0.573 2.607
61 H25 H H25 N N N 0 5.4 -0.312 1.449
62 H26 H H26 N N N 0 -3.834 1.692 1.385
63 H27 H H27 N N N 0 -2.088 1.77 1.723
64 H28 H H28 N N N 0 -4.934 3.75 0.279
65 H29 H H29 N N N 0 -4.513 6.235 -0.075
66 H30 H H30 N N N 0 -2.102 6.946 0.274