Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JNX

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 -3.258 1.011 -1.409
2 C11 C C2 N Y N 0 -4.005 1.936 -0.483
3 C12 C C3 N Y N 0 -3.532 3.085 0.002
4 C13 C C4 N Y N 0 -4.401 3.768 0.836
5 C14 C C5 N Y N 0 -5.58 3.174 1.027
6 C02 C C6 N N N 0 2.684 0.83 -1.216
7 C04 C C7 N N N 0 2.113 -0.132 -0.242
8 C06 C C8 R N N 0 0.026 -1.159 0.472
9 C07 C C9 S N N 0 -0.97 -1.896 -0.426
10 C09 C C10 N N N 0 -2.477 0.01 -0.596
11 C18 C C11 N N N 0 -1.096 -3.461 -2.237
12 C19 C C12 N N N 0 -1.917 -2.698 0.428
13 C23 C C13 N N N 0 2.418 -1.313 1.941
14 C24 C C14 S N N 0 3.101 -0.719 0.707
15 C25 C C15 N N N 0 4.074 0.374 1.153
16 C27 C C16 N N N 0 5.792 1.761 0.246
17 N05 N N1 N N N 0 0.886 -0.314 -0.347
18 N08 N N2 N N N 0 -1.728 -0.923 -1.216
19 N28 N N3 N N N 0 6.571 2.2 -0.762
20 O01 O O1 N N N 0 3.189 0.426 -2.243
21 O03 O O2 N N N 0 2.641 2.152 -0.961
22 O16 O O3 N N N 0 -2.523 0.045 0.615
23 O17 O O4 N N N 0 -0.261 -2.773 -1.304
24 O20 O O5 N N N 0 -1.915 -3.905 0.363
25 O21 O O6 N N N 0 -2.763 -2.072 1.261
26 O26 O O7 N N N 0 4.878 0.798 0.021
27 O29 O O8 N N N 0 5.913 2.234 1.359
28 S15 S S1 N Y N 0 -5.637 1.67 0.116
29 S22 S S2 N N N 0 1.049 -2.368 1.366
30 H101 H H1 N N N 0 -3.967 0.486 -2.048
31 H102 H H2 N N N 0 -2.572 1.591 -2.027
32 H121 H H3 N N N 0 -2.546 3.454 -0.236
33 H131 H H4 N N N 0 -4.144 4.71 1.296
34 H141 H H5 N N N 0 -6.379 3.559 1.643
35 H061 H H7 N N N 0 -0.516 -0.541 1.187
36 H181 H H8 N N N 0 -0.476 -4.036 -2.925
37 H232 H H12 N N N 0 2.028 -0.512 2.569
38 H182 H H9 N N N 0 -1.763 -4.136 -1.699
39 H183 H H10 N N N 0 -1.687 -2.738 -2.798
40 H231 H H11 N N N 0 3.132 -1.911 2.506
41 H241 H H13 N N N 0 3.659 -1.504 0.197
42 H251 H H14 N N N 0 3.513 1.225 1.539
43 H252 H H15 N N N 0 4.725 -0.017 1.935
44 H081 H H18 N N N 0 -1.691 -0.951 -2.185
45 H282 H H19 N N N 0 6.473 1.822 -1.65
46 H281 H H20 N N N 0 7.228 2.894 -0.6
47 H4 H H21 N N N 0 3.026 2.74 -1.625
48 H5 H H22 N N N 0 -3.352 -2.629 1.789