Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : C3J

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 C14 C C1 N Y N 0 -2.553 0.161 2.673
2 C5 C C2 N Y N 0 -5.0 0.709 0.058
3 C6 C C3 N Y N 0 -5.551 1.416 1.086
4 C11 C C4 N Y N 0 -2.753 -0.674 0.02
5 C9 C C5 N Y N 0 -3.648 0.553 1.909
6 C10 C C6 N Y N 0 -3.745 0.131 0.574
7 C12 C C7 N Y N 0 -1.665 -1.046 0.791
8 C13 C C8 N Y N 0 -1.572 -0.63 2.118
9 N2 N N1 N N N 0 -6.713 1.146 -1.623
10 C3 C C9 N N N 0 -5.548 0.553 -1.296
11 C1 C C10 N N N 0 -7.26 0.991 -2.974
12 C16 C C11 N N N 0 -0.942 -3.243 -0.134
13 C17 C C12 N N N 0 0.221 -4.107 0.37
14 C18 C C13 N N N 0 1.502 -3.678 -0.346
15 C19 C C14 N Y N 0 1.69 -2.187 -0.243
16 C20 C C15 N Y N 0 0.627 -1.34 0.036
17 C21 C C16 N Y N 0 0.83 0.034 0.12
18 C22 C C17 N Y N 0 2.089 0.562 -0.07
19 C23 C C18 N Y N 0 3.16 -0.286 -0.346
20 C24 C C19 N Y N 0 2.954 -1.66 -0.432
21 C25 C C20 N Y N 0 4.519 0.276 -0.55
22 C26 C C21 N Y N 0 4.859 1.341 -1.407
23 C29 C C22 N Y N 0 5.664 -0.141 0.062
24 C30 C C23 N N N 0 8.082 0.52 -0.001
25 N28 N N4 N Y N 0 6.675 0.626 -0.396
26 C31 C C24 N N N 0 2.306 2.05 0.022
27 F32 F F1 N N N 0 1.384 2.602 0.917
28 F33 F F2 N N N 0 3.605 2.305 0.474
29 N15 N N2 N N N 0 -0.661 -1.85 0.24
30 N27 N N3 N Y N 0 6.147 1.544 -1.312
31 N7 N N5 N Y N 0 -4.759 1.328 2.18
32 O4 O O1 N N N 0 -4.949 -0.11 -2.122
33 H1 H H1 N N N 0 -2.469 0.482 3.701
34 H2 H H2 N N N 0 -6.48 1.964 1.034
35 H3 H H3 N N N 0 -2.827 -1.0 -1.007
36 H4 H H4 N N N 0 -0.72 -0.924 2.713
37 H5 H H5 N N N 0 -7.19 1.674 -0.965
38 H6 H H6 N N N 0 -8.2 1.536 -3.05
39 H7 H H7 N N N 0 -6.55 1.386 -3.7
40 H8 H H8 N N N 0 -7.435 -0.066 -3.175
41 H9 H H9 N N N 0 -1.02 -3.326 -1.218
42 H10 H H10 N N N 0 -1.873 -3.569 0.329
43 H11 H H11 N N N 0 0.34 -3.969 1.445
44 H12 H H12 N N N 0 0.017 -5.156 0.156
45 H13 H H13 N N N 0 2.355 -4.181 0.11
46 H14 H H14 N N N 0 1.438 -3.961 -1.397
47 H15 H H15 N N N 0 -0.002 0.689 0.335
48 H16 H H16 N N N 0 3.785 -2.316 -0.646
49 H17 H H17 N N N 0 4.175 1.894 -2.034
50 H18 H H18 N N N 0 5.747 -0.94 0.784
51 H19 H H19 N N N 0 8.594 -0.177 -0.665
52 H20 H H20 N N N 0 8.553 1.5 -0.068
53 H21 H H21 N N N 0 8.144 0.156 1.025
54 H22 H H22 N N N 0 2.17 2.498 -0.963
55 H23 H H23 N N N 0 -4.944 1.75 3.034