Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 9J4

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 C18 C C1 N N N 0 3.237 -2.108 1.7
2 C17 C C2 S N N 0 3.2 -2.704 0.271
3 C16 C C3 N N N 0 1.908 -2.131 -0.345
4 C15 C C4 R N N 0 1.588 -0.839 0.426
5 C19 C C5 N N N 0 2.698 -0.672 1.485
6 C20 C C6 N N N 0 2.128 -1.817 -1.826
7 C22 C C7 N N N 0 0.762 -3.133 -0.186
8 C23 C C8 N Y N 0 -3.89 -1.644 -0.221
9 C24 C C9 N Y N 0 -5.032 -2.419 -0.22
10 C11 C C10 N N N 0 2.766 2.883 -0.211
11 C27 C C11 N Y N 0 -5.229 0.312 0.217
12 C1 C C12 N Y N 0 -0.623 1.229 -0.123
13 N2 N N1 N Y N 0 -1.415 2.331 0.128
14 N3 N N2 N Y N 0 -0.829 3.596 0.264
15 C4 C C13 N Y N 0 0.456 3.765 0.16
16 C5 C C14 N Y N 0 1.318 2.673 -0.096
17 C6 C C15 N Y N 0 0.777 1.39 -0.239
18 C7 C C16 N Y N 0 -1.443 0.119 -0.207
19 C8 C C17 N Y N 0 -2.758 0.567 -0.002
20 C9 C C18 N Y N 0 -2.702 1.932 0.196
21 N10 N N3 N N N 0 1.591 0.306 -0.489
22 N12 N N4 N N N 0 3.292 4.1 0.036
23 O13 O O1 N N N 0 3.492 1.959 -0.528
24 C14 C C19 N Y N 0 -3.983 -0.271 -0.002
25 N21 N N5 N N N 0 4.374 -2.269 -0.498
26 C25 C C20 N Y N 0 -6.268 -1.834 -0.007
27 C26 C C21 N Y N 0 -6.366 -0.471 0.206
28 C28 C C22 N N N 0 3.134 -4.232 0.33
29 H1 H H1 N N N 0 2.585 -2.669 2.37
30 H2 H H2 N N N 0 4.256 -2.084 2.086
31 H3 H H3 N N N 0 0.617 -0.925 0.913
32 H4 H H4 N N N 0 2.284 -0.276 2.412
33 H5 H H5 N N N 0 3.488 -0.02 1.11
34 H6 H H6 N N N 0 2.403 -2.73 -2.355
35 H7 H H7 N N N 0 1.21 -1.412 -2.252
36 H8 H H8 N N N 0 2.929 -1.084 -1.927
37 H9 H H9 N N N 0 0.597 -3.331 0.873
38 H10 H H10 N N N 0 -0.146 -2.719 -0.625
39 H11 H H11 N N N 0 1.019 -4.062 -0.694
40 H12 H H12 N N N 0 -2.926 -2.101 -0.387
41 H13 H H13 N N N 0 -4.961 -3.484 -0.386
42 H14 H H14 N N N 0 -5.307 1.376 0.383
43 H15 H H15 N N N 0 0.872 4.756 0.272
44 H16 H H16 N N N 0 -1.132 -0.899 -0.395
45 H17 H H17 N N N 0 -3.55 2.574 0.382
46 H18 H H18 N N N 0 2.166 0.301 -1.27
47 H19 H H19 N N N 0 2.713 4.836 0.289
48 H20 H H20 N N N 0 4.249 4.239 -0.04
49 H21 H H21 N N N 0 5.224 -2.64 -0.101
50 H22 H H22 N N N 0 4.285 -2.527 -1.469
51 H24 H H24 N N N 0 -7.159 -2.444 -0.007
52 H25 H H25 N N N 0 -7.332 -0.02 0.375
53 H26 H H26 N N N 0 3.015 -4.63 -0.678
54 H27 H H27 N N N 0 4.054 -4.619 0.768
55 H28 H H28 N N N 0 2.284 -4.535 0.943