Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1JD

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 C1 C C1 N N N 0 8.563 -3.103 0.693
2 C10 C C10 N N N 0 2.614 3.789 0.919
3 C11 C C11 N N N 0 1.301 4.472 1.311
4 C12 C C12 N N N 0 3.619 3.921 2.065
5 C13 C C13 N Y N 0 -0.541 0.285 -0.751
6 C14 C C14 N Y N 0 -1.724 -0.071 -0.084
7 C15 C C15 N Y N 0 -2.053 -0.533 1.257
8 C16 C C16 N Y N 0 -2.942 0.0 -0.791
9 C17 C C17 N Y N 0 -1.786 0.723 -2.643
10 C18 C C18 N Y N 0 -5.283 -0.469 -0.224
11 C19 C C19 N Y N 0 -6.182 -0.882 0.755
12 C2 C C2 N Y N 0 7.42 -2.238 0.229
13 C20 C C20 N Y N 0 -7.53 -0.952 0.445
14 C21 C C21 N Y N 0 -7.933 -0.605 -0.838
15 C22 C C22 N Y N 0 -6.985 -0.205 -1.759
16 C3 C C3 N Y N 0 7.597 -1.344 -0.819
17 C4 C C4 N Y N 0 6.521 -0.569 -1.214
18 C5 C C5 N Y N 0 5.307 -0.709 -0.552
19 C6 C C6 N Y N 0 6.184 -2.329 0.838
20 C7 C C7 N N N 0 3.009 -0.137 -0.373
21 C8 C C8 S N N 0 1.805 0.62 -0.871
22 C9 C C9 N N N 0 2.043 2.122 -0.706
23 CL1 CL CL1 N N N 0 -5.621 -1.304 2.343
24 H1 H H1 N N N 0 8.561 -4.038 0.132
25 H10 H H10 N N N 0 1.14 2.666 -0.983
26 H11 H H11 N N N 0 3.018 4.264 0.025
27 H12 H H12 N N N 0 0.898 3.997 2.205
28 H13 H H13 N N N 0 1.487 5.527 1.512
29 H14 H H14 N N N 0 0.585 4.378 0.495
30 H15 H H15 N N N 0 4.554 3.435 1.787
31 H16 H H16 N N N 0 3.804 4.976 2.266
32 H17 H H17 N N N 0 3.215 3.446 2.96
33 H18 H H18 N N N 0 -1.354 -0.7 2.063
34 H19 H H19 N N N 0 -1.806 1.044 -3.674
35 H2 H H2 N N N 0 9.505 -2.581 0.525
36 H20 H H20 N N N 0 -8.251 -1.269 1.184
37 H21 H H21 N N N 0 -8.976 -0.65 -1.112
38 H22 H H22 N N N 0 -7.294 0.066 -2.758
39 H3 H H3 N N N 0 8.45 -3.316 1.755
40 H4 H H4 N N N 0 8.552 -1.257 -1.314
41 H5 H H5 N N N 0 6.623 0.137 -2.025
42 H6 H H6 N N N 0 6.04 -3.025 1.651
43 H7 H H7 N N N 0 4.323 0.752 -1.617
44 H8 H H8 N N N 0 1.643 0.392 -1.924
45 H9 H H9 N N N 0 2.866 2.433 -1.35
46 N1 N N1 N Y N 0 5.178 -1.572 0.444
47 N2 N N2 N N N 0 4.215 0.066 -0.939
48 N3 N N3 N Y N 0 -3.343 -0.709 1.31
49 N4 N N4 N Y N 0 -3.921 -0.393 0.075
50 N5 N N5 N Y N 0 -2.921 0.4 -2.061
51 N6 N N6 N Y N 0 -0.624 0.677 -2.016
52 N7 N N7 N Y N 0 -5.708 -0.143 -1.434
53 O1 O O1 N N N 0 2.893 -0.929 0.539
54 O2 O O2 N N N 0 2.371 2.406 0.656
55 O3 O O3 N N N 0 0.654 0.234 -0.117