Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : LQX

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 61


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N4 N N1 N N N 0 4.688 1.192 1.314
2 N5 N N2 N Y N 0 -2.285 -3.197 -0.338
3 C1 C C1 N N N 0 0.058 -5.231 1.612
4 C2 C C2 N Y N 0 -0.696 -4.332 0.666
5 C3 C C3 N Y N 0 -0.146 -3.63 -0.412
6 C4 C C4 N Y N 0 -1.144 -2.941 -1.012
7 C5 C C5 N N N 0 -1.007 -2.047 -2.217
8 N1 N N3 N N N 0 -0.849 -0.658 -1.78
9 O1 O O1 N N N 0 -3.01 -0.309 -2.017
10 C6 C C6 N N N 0 -1.924 0.145 -1.711
11 C9 C C9 N Y N 0 -3.463 2.898 1.144
12 N2 N N4 N N N 0 -1.852 1.427 -1.319
13 C7 C C7 N N N 0 -3.073 2.234 -1.271
14 C8 C C8 N Y N 0 -3.704 2.11 0.092
15 N3 N N5 N Y N 0 -4.143 2.584 2.229
16 C10 C C10 N Y N 0 -4.944 1.576 2.15
17 C11 C C11 N N N 0 -5.803 1.066 3.278
18 S1 S S1 N Y N 0 -4.896 0.906 0.577
19 C12 C C12 N N N 0 -0.674 1.986 -0.966
20 O2 O O2 N N N 0 -0.617 3.148 -0.611
21 C13 C C13 N Y N 0 0.54 1.152 -1.022
22 C14 C C14 N Y N 0 1.791 1.655 -0.674
23 C15 C C15 N Y N 0 2.897 0.834 -0.744
24 S2 S S2 N N N 0 4.484 1.463 -0.306
25 O3 O O3 N N N 0 4.416 2.873 -0.472
26 O4 O O4 N N N 0 5.437 0.647 -0.973
27 C16 C C16 N N N 0 4.756 -0.18 1.825
28 C17 C C17 N N N 0 3.407 -0.864 2.057
29 C19 C C19 N N N 0 5.919 -1.053 1.352
30 C18 C C18 N N N 0 5.896 -0.521 2.786
31 C20 C C20 N Y N 0 2.768 -0.483 -1.156
32 C21 C C21 N Y N 0 1.533 -0.994 -1.503
33 C22 C C22 N Y N 0 0.41 -0.185 -1.435
34 C23 C C23 N N N 0 -3.611 -2.66 -0.651
35 N6 N N6 N Y N 0 -1.977 -4.074 0.712
36 H1 H H1 N N N 0 4.768 1.941 1.925
37 H2 H H2 N N N 0 0.424 -4.646 2.455
38 H3 H H3 N N N 0 -0.605 -6.016 1.974
39 H4 H H4 N N N 0 0.902 -5.682 1.089
40 H5 H H5 N N N 0 0.891 -3.637 -0.712
41 H6 H H6 N N N 0 -0.133 -2.348 -2.795
42 H7 H H7 N N N 0 -1.899 -2.133 -2.837
43 H8 H H8 N N N 0 -2.827 3.278 -1.464
44 H9 H H9 N N N 0 -3.772 1.88 -2.029
45 H10 H H10 N N N 0 -2.768 3.724 1.109
46 H11 H H11 N N N 0 -6.769 1.569 3.256
47 H12 H H12 N N N 0 -5.95 -0.009 3.166
48 H13 H H13 N N N 0 -5.31 1.267 4.229
49 H14 H H14 N N N 0 1.895 2.681 -0.353
50 H15 H H15 N N N 0 3.49 -1.556 2.895
51 H19 H H19 N N N 0 5.686 -1.232 3.584
52 H16 H H16 N N N 0 2.651 -0.112 2.28
53 H17 H H17 N N N 0 3.119 -1.413 1.16
54 H18 H H18 N N N 0 6.596 0.276 3.039
55 H20 H H20 N N N 0 5.724 -2.116 1.206
56 H21 H H21 N N N 0 6.635 -0.607 0.661
57 H22 H H22 N N N 0 3.642 -1.116 -1.207
58 H23 H H23 N N N 0 1.443 -2.022 -1.823
59 H24 H H24 N N N 0 -3.728 -1.684 -0.18
60 H25 H H25 N N N 0 -3.715 -2.557 -1.731
61 H26 H H26 N N N 0 -4.376 -3.339 -0.275