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