Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : JNU

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 47


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N Y N 0 2.762 -2.466 -1.154
2 C02 C C2 N Y N 0 1.406 -2.502 -1.035
3 C05 C C3 N Y N 0 3.46 -1.332 -0.697
4 C07 C C4 N Y N 0 3.663 0.662 0.208
5 N09 N N1 N Y N 0 4.746 -1.013 -0.678
6 C10 C C5 N N N 0 3.36 1.989 0.855
7 C11 C C6 N N N 0 6.193 0.92 0.073
8 C15 C C7 N N N 0 -0.78 -1.477 -0.342
9 C16 C C8 N N N 0 -1.286 -0.188 0.308
10 C17 C C9 N Y N 0 -2.787 -0.243 0.431
11 C20 C C10 N Y N 0 -4.892 -0.029 -0.022
12 C22 C C11 N N N 0 -2.912 -1.298 2.707
13 C24 C C12 N N N 0 -7.265 -0.076 0.075
14 C25 C C13 N N N 0 -8.398 0.792 -0.512
15 N04 N N2 N Y N 0 1.364 -0.368 -0.04
16 C26 C C14 N N N 0 -7.686 2.004 -1.148
17 C27 C C15 N N N 0 -6.183 1.766 -0.891
18 C03 C C16 N Y N 0 0.721 -1.422 -0.465
19 N06 N N3 N Y N 0 2.756 -0.292 -0.144
20 C08 C C17 N Y N 0 4.888 0.195 -0.131
21 F12 F F1 N N N 0 6.717 0.592 1.328
22 F13 F F2 N N N 0 7.099 0.541 -0.924
23 F14 F F3 N N N 0 5.976 2.3 0.005
24 N18 N N4 N Y N 0 -3.473 -0.728 1.479
25 N19 N N5 N Y N 0 -4.834 -0.581 1.167
26 N21 N N6 N Y N 0 -3.647 0.179 -0.461
27 N23 N N7 N N N 0 -6.061 0.296 -0.712
28 H28 H H1 N N N 0 3.296 -3.298 -1.589
29 H29 H H2 N N N 0 0.858 -3.366 -1.381
30 H31 H H3 N N N 0 3.195 2.74 0.083
31 H30 H H4 N N N 0 2.466 1.897 1.47
32 H32 H H5 N N N 0 4.202 2.289 1.48
33 H34 H H6 N N N 0 -1.063 -2.33 0.276
34 H33 H H7 N N N 0 -1.223 -1.584 -1.332
35 H35 H H8 N N N 0 -0.843 -0.081 1.298
36 H36 H H9 N N N 0 -1.003 0.665 -0.31
37 H41 H H13 N N N 0 -7.116 0.156 1.13
38 H37 H H10 N N N 0 -2.772 -0.507 3.444
39 H38 H H11 N N N 0 -3.596 -2.048 3.105
40 H39 H H12 N N N 0 -1.952 -1.763 2.486
41 H40 H H14 N N N 0 -7.492 -1.135 -0.052
42 H43 H H15 N N N 0 -8.947 0.235 -1.271
43 H42 H H16 N N N 0 -9.072 1.121 0.279
44 H45 H H17 N N N 0 -7.886 2.042 -2.218
45 H44 H H18 N N N 0 -8.011 2.928 -0.668
46 H46 H H19 N N N 0 -5.594 2.095 -1.747
47 H47 H H20 N N N 0 -5.864 2.288 0.012