Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 53A

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 -2.87 0.77 -0.179
2 N3 N N3 N N N 0 -4.06 0.1 -0.205
3 C4 C C4 N N N 0 -0.198 1.506 -0.113
4 C5 C C5 N Y N 0 -1.245 2.539 -0.152
5 O3 O O3 N N N 0 1.717 -1.574 1.262
6 C6 C C6 N Y N 0 -2.588 2.127 -0.185
7 O2 O O2 N N N 0 4.297 1.472 0.25
8 N4 N N4 N N N 0 -3.815 -1.242 -0.185
9 C10 C C10 N N N 0 1.895 -0.38 1.251
10 C13 C C13 N N N 0 1.749 0.415 2.523
11 C7 C C7 R N N 0 2.264 0.315 -0.034
12 C9 C C9 N N N 0 3.763 0.453 -0.118
13 O5 O O5 N N N 0 4.503 -0.557 -0.602
14 C15 C C15 N N N 0 5.94 -0.354 -0.654
15 C19 C C19 N N N 0 6.611 -1.603 -1.229
16 S1 S S1 N N N 0 1.505 1.957 -0.071
17 N2 N N2 N N N 0 -0.555 0.235 -0.118
18 C11 C C11 N Y N 0 -0.933 3.898 -0.149
19 C16 C C16 N Y N 0 -1.951 4.827 -0.186
20 C17 C C17 N Y N 0 -3.276 4.419 -0.227
21 C12 C C12 N Y N 0 -3.599 3.077 -0.222
22 O1 O O1 N N N 0 -0.506 -2.649 -0.08
23 C3 C C3 N N N 0 -2.409 -1.419 -0.145
24 C1 C C1 N N N 0 -1.839 -0.145 -0.148
25 C8 C C8 N N N 0 -1.725 -2.635 -0.114
26 O4 O O4 N N N 0 -2.414 -3.799 -0.122
27 C14 C C14 N N N 0 -1.65 -5.006 -0.089
28 C18 C C18 N N N 0 -2.595 -6.209 -0.103
29 HN3 H HN3 N N N 0 -4.645 0.373 0.571
30 HN4 H HN4 N N N 0 -4.482 -1.947 -0.196
31 H13 H H13 N N N 0 2.71 0.46 3.036
32 H13A H H13A N N N 0 1.418 1.425 2.284
33 H13B H H13B N N N 0 1.014 -0.065 3.169
34 H7 H H7 N N N 0 1.905 -0.271 -0.88
35 H15 H H15 N N N 0 6.164 0.503 -1.289
36 H15A H H15A N N N 0 6.318 -0.17 0.352
37 H19 H H19 N N N 0 7.689 -1.451 -1.268
38 H19A H H19A N N N 0 6.387 -2.46 -0.595
39 H19B H H19B N N N 0 6.233 -1.787 -2.235
40 H11 H H11 N N N 0 0.097 4.22 -0.117
41 H16 H H16 N N N 0 -1.715 5.881 -0.184
42 H17 H H17 N N N 0 -4.063 5.158 -0.257
43 H12 H H12 N N N 0 -4.633 2.768 -0.248
44 H14 H H14 N N N 0 -0.997 -5.047 -0.96
45 H14A H H14A N N N 0 -1.046 -5.029 0.819
46 H18 H H18 N N N 0 -3.248 -6.169 0.769
47 H18A H H18A N N N 0 -3.199 -6.186 -1.01
48 H18B H H18B N N N 0 -2.012 -7.13 -0.078