Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : J5Q

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C20 C C1 N Y N 0 -4.966 -0.362 0.114
2 C21 C C2 N Y N 0 -6.235 -0.09 -0.393
3 C22 C C3 N Y N 0 -7.347 -0.665 0.192
4 C24 C C4 N Y N 0 -7.201 -1.511 1.28
5 C26 C C5 N Y N 0 -4.826 -1.213 1.208
6 C01 C C6 N N N 0 8.543 -0.595 -0.166
7 C02 C C7 N Y N 0 7.066 -0.882 -0.089
8 C03 C C8 N Y N 0 6.626 -2.117 0.353
9 C04 C C9 N Y N 0 5.273 -2.384 0.426
10 C05 C C10 N Y N 0 6.154 0.091 -0.454
11 C06 C C11 N Y N 0 4.799 -0.169 -0.384
12 C07 C C12 N Y N 0 4.353 -1.41 0.055
13 C09 C C13 S N N 0 1.878 -0.197 -0.431
14 C11 C C14 R N N 0 1.656 2.127 0.118
15 C12 C C15 N N N 0 2.061 3.171 1.16
16 C14 C C16 R N N 0 0.128 2.048 0.041
17 C16 C C17 S N N 0 -0.269 0.959 -0.96
18 C18 C C18 N Y N 0 -2.467 0.079 -0.133
19 C19 C C19 N Y N 0 -3.767 0.249 -0.513
20 C25 C C20 N Y N 0 -5.943 -1.782 1.785
21 C29 C C21 R N N 0 0.36 -0.369 -0.53
22 F23 F F1 N N N 0 -8.579 -0.403 -0.298
23 N17 N N1 N Y N 0 -1.728 0.825 -0.984
24 N27 N N2 N Y N 0 -3.743 1.079 -1.57
25 N28 N N3 N Y N 0 -2.522 1.398 -1.819
26 O10 O O1 N N N 0 2.179 0.851 0.493
27 O13 O O2 N N N 0 3.482 3.327 1.15
28 O15 O O3 N N N 0 -0.398 1.727 1.331
29 O30 O O4 N N N 0 0.055 -1.377 -1.496
30 S08 S S1 N N N 0 2.626 -1.746 0.146
31 H211 H H1 N N N 0 -6.349 0.57 -1.24
32 H241 H H2 N N N 0 -8.072 -1.959 1.734
33 H261 H H3 N N N 0 -3.844 -1.426 1.605
34 H011 H H4 N N N 0 8.883 -0.178 0.782
35 H013 H H5 N N N 0 9.083 -1.52 -0.371
36 H012 H H6 N N N 0 8.733 0.121 -0.966
37 H031 H H7 N N N 0 7.341 -2.873 0.641
38 H041 H H8 N N N 0 4.93 -3.348 0.771
39 H051 H H9 N N N 0 6.501 1.055 -0.794
40 H061 H H10 N N N 0 4.088 0.592 -0.669
41 H091 H H11 N N N 0 2.28 0.057 -1.412
42 H111 H H12 N N N 0 2.054 2.411 -0.856
43 H121 H H13 N N N 0 1.589 4.124 0.923
44 H122 H H14 N N N 0 1.739 2.842 2.148
45 H141 H H15 N N N 0 -0.27 3.009 -0.286
46 H161 H H16 N N N 0 0.089 1.228 -1.954
47 H181 H H17 N N N 0 -2.103 -0.525 0.685
48 H251 H H18 N N N 0 -5.834 -2.442 2.633
49 H291 H H19 N N N 0 -0.037 -0.663 0.442
50 H131 H H20 N N N 0 3.81 3.975 1.788
51 H151 H H21 N N N 0 -0.18 2.373 2.016
52 H301 H H22 N N N 0 0.428 -2.245 -1.289