Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XAC

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


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 4.069 -1.688 0.29
2 C10 C C10 N N N 0 4.865 4.566 -0.894
3 C11 C C11 N N N 0 8.198 -3.089 -1.064
4 C12 C C12 N Y N 0 -3.251 0.738 0.101
5 C13 C C13 N Y N 0 -2.39 1.824 0.18
6 C14 C C14 N Y N 0 -1.027 1.624 0.223
7 C15 C C15 N Y N 0 -0.513 0.326 0.187
8 C16 C C16 N Y N 0 -1.382 -0.764 0.107
9 C17 C C17 N Y N 0 -2.744 -0.555 0.07
10 C18 C C18 N N N 0 -5.422 -0.222 -0.023
11 C19 C C19 N N N 0 -6.87 0.194 -0.059
12 C2 C C2 N N N 0 5.425 0.221 0.407
13 C20 C C20 N N N 0 -9.245 -0.334 -0.172
14 C21 C C21 N N N 0 -10.132 -1.578 -0.259
15 C3 C C3 N Y N 0 0.947 0.107 0.233
16 C4 C C4 N Y N 0 3.076 0.514 0.332
17 C5 C C5 N Y N 0 2.922 -0.868 0.275
18 C6 C C6 N N N 0 6.484 -1.962 0.363
19 C7 C C7 N N N 0 6.95 -2.204 -1.075
20 C8 C C8 N N N 0 4.549 2.492 0.462
21 C9 C C9 N N N 0 4.665 3.051 -0.958
22 H10 H H10 N N N 0 4.948 4.964 -1.906
23 H10A H H10A N N N 0 4.013 5.024 -0.392
24 H10B H H10B N N N 0 5.777 4.789 -0.34
25 H11 H H11 N N N 0 8.529 -3.261 -2.089
26 H11A H H11A N N N 0 8.991 -2.593 -0.505
27 H11B H H11B N N N 0 7.963 -4.043 -0.593
28 H13 H H13 N N N 0 -2.788 2.828 0.208
29 H14 H H14 N N N 0 -0.358 2.47 0.285
30 H16 H H16 N N N 0 -0.988 -1.769 0.079
31 H17 H H17 N N N 0 -3.417 -1.398 0.013
32 H18 H H18 N N N 0 -5.181 -0.778 -0.929
33 H18A H H18A N N N 0 -5.248 -0.855 0.848
34 H20 H H20 N N N 0 -9.487 0.221 0.734
35 H20A H H20A N N N 0 -9.42 0.298 -1.043
36 H21 H H21 N N N 0 -9.958 -2.21 0.612
37 H21A H H21A N N N 0 -9.891 -2.133 -1.166
38 H6 H H6 N N N 0 7.277 -1.466 0.923
39 H6A H H6A N N N 0 6.249 -2.917 0.834
40 H7 H H7 N N N 0 6.157 -2.7 -1.635
41 H7A H H7A N N N 0 7.185 -1.25 -1.546
42 H8 H H8 N N N 0 3.697 2.95 0.964
43 H8A H H8A N N N 0 5.46 2.715 1.016
44 H9 H H9 N N N 0 5.517 2.592 -1.46
45 H9A H H9A N N N 0 3.753 2.827 -1.512
46 HN4 H HN4 N N N 0 1.13 -1.975 0.162
47 HN5 H HN5 N N N 0 -7.603 -1.68 -0.168
48 HN6 H HN6 N N N 0 -12.15 -1.976 -0.352
49 HN6A H HN6A N N N 0 -11.776 -0.6 0.504
50 N1 N N1 N N N 0 4.357 1.041 0.401
51 N2 N N2 N N N 0 5.289 -1.115 0.353
52 N3 N N3 N Y N 0 1.86 1.056 0.308
53 N4 N N4 N Y N 0 1.562 -1.108 0.213
54 N5 N N5 N N N 0 -7.838 -0.739 -0.136
55 N6 N N6 N N N 0 -11.543 -1.171 -0.295
56 O1 O O1 N N N 0 3.96 -2.901 0.242
57 O2 O O2 N N N 0 6.54 0.701 0.468
58 O3 O O3 N N N 0 -4.594 0.939 0.059
59 O4 O O4 N N N 0 -7.163 1.371 -0.02