Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KJE

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 50


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 3.795 -0.235 0.778
2 N2 N N1 R N N 1 0.26 2.061 -0.208
3 C3 C C2 N Y N 0 3.772 -1.515 -1.274
4 C4 C C3 N Y N 0 2.392 -1.644 -1.257
5 C6 C C4 N Y N 0 2.428 -0.341 0.792
6 C8 C C5 R N N 0 1.383 0.178 1.743
7 C9 C C6 N N N 0 1.502 1.689 1.83
8 C10 C C7 N N N 0 1.547 2.34 0.446
9 C11 C C8 R N N 0 -1.294 -0.177 1.671
10 C12 C C9 N N N 0 -2.008 1.151 1.704
11 C13 C C10 R N N 0 -2.131 1.859 0.346
12 C15 C C11 N N N 0 -1.133 0.683 -1.579
13 C16 C C12 N N N 0 0.176 1.145 -1.105
14 C17 C C13 N N N 0 -0.907 2.81 0.25
15 C18 C C14 N N N 0 -1.253 -0.169 -2.814
16 C2 C C15 N Y N 0 4.46 -0.839 -0.287
17 C5 C C16 N Y N 0 1.708 -1.032 -0.198
18 N1 N N2 N N N 0 0.385 -0.972 0.07
19 C7 C C17 N N N 0 0.082 -0.304 1.149
20 C14 C C18 N N N 0 -2.212 0.985 -0.854
21 C19 C C19 N N N 0 -1.295 0.729 -4.052
22 C20 C C20 N N N 0 -2.177 -1.225 1.053
23 O1 O O1 N N N 0 -1.734 -2.486 0.925
24 O2 O O2 N N N 0 -3.286 -0.933 0.67
25 C21 C C21 N N N 0 -2.64 -3.445 0.319
26 H1 H H1 N N N 0 4.33 0.294 1.552
27 H2 H H2 N N N 0 4.328 -1.97 -2.08
28 H3 H H3 N N N 0 1.867 -2.191 -2.026
29 H4 H H4 N N N 0 0.651 2.096 2.389
30 H5 H H5 N N N 0 2.415 1.956 2.377
31 H6 H H6 N N N 0 2.358 1.919 -0.145
32 H7 H H7 N N N 0 1.679 3.418 0.544
33 H8 H H8 N N N 0 -1.218 -0.475 2.746
34 H9 H H9 N N N 0 -3.015 0.998 2.106
35 H10 H H10 N N N 0 -1.475 1.815 2.393
36 H11 H H11 N N N 0 -3.04 2.499 0.386
37 H12 H H12 N N N 0 1.077 0.722 -1.533
38 H13 H H13 N N N 0 -0.711 3.246 1.229
39 H14 H H14 N N N 0 -1.133 3.606 -0.463
40 H15 H H15 N N N 0 -0.394 -0.837 -2.88
41 H16 H H16 N N N 0 -2.168 -0.759 -2.761
42 H17 H H17 N N N 0 5.536 -0.773 -0.343
43 H19 H H19 N N N 0 -3.172 0.572 -1.171
44 H27 H H27 N N N 0 1.53 -0.277 2.737
45 H21 H H21 N N N 0 -1.382 0.112 -4.946
46 H22 H H22 N N N 0 -2.154 1.397 -3.986
47 H23 H H23 N N N 0 -0.38 1.319 -4.104
48 H24 H H24 N N N 0 -2.891 -3.119 -0.69
49 H25 H H25 N N N 0 -2.159 -4.422 0.277
50 H26 H H26 N N N 0 -3.55 -3.513 0.916