Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B5K

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 N N N1 N Y N 0 1.652 2.838 0.227
2 C C C1 N Y N 0 4.651 0.013 0.5
3 O O O1 N N N 0 1.146 -1.885 -1.776
4 C1 C C2 N Y N 0 5.048 1.339 0.629
5 C10 C C3 N N N 0 -1.997 -1.158 -1.429
6 C11 C C4 N Y N 0 -3.163 -0.772 -0.556
7 C12 C C5 N Y N 0 -4.119 0.107 -1.03
8 C13 C C6 N Y N 0 -5.191 0.462 -0.23
9 C14 C C7 N Y N 0 -5.306 -0.064 1.047
10 C15 C C8 N Y N 0 -4.346 -0.944 1.521
11 C16 C C9 N Y N 0 -3.278 -1.301 0.715
12 C17 C C10 N N N 0 2.399 -3.56 -0.074
13 C18 C C11 N N N 0 1.633 -4.524 -0.982
14 C19 C C12 N N N 0 2.889 -4.309 1.167
15 C2 C C13 N Y N 0 4.123 2.359 0.554
16 C20 C C14 N N N 0 3.599 -2.99 -0.833
17 C21 C C15 N N N 0 -0.826 2.46 -0.147
18 C22 C C16 N N N 0 -0.795 0.894 -1.962
19 C3 C C17 N Y N 0 2.78 2.061 0.346
20 C4 C C18 N Y N 0 2.381 0.716 0.216
21 C5 C C19 N Y N 0 3.339 -0.303 0.296
22 C6 C C20 N Y N 0 0.562 2.012 0.027
23 C7 C C21 N Y N 0 0.98 0.718 0.016
24 C8 C C22 R N N 0 0.108 -0.496 -0.175
25 C9 C C23 N N N 0 0.96 -1.665 -0.598
26 F F F1 N N N 0 -6.351 0.282 1.83
27 F1 F F2 N N N 0 -4.455 -1.458 2.766
28 F2 F F3 N N N 0 -6.125 1.321 -0.694
29 N1 N N2 N N N 0 -0.892 -0.221 -1.211
30 N2 N N3 N N N 0 1.514 -2.466 0.334
31 O1 O O2 N N N 0 -1.722 1.643 -0.231
32 O2 O O3 N N N 0 -1.105 3.777 -0.214
33 O3 O O4 N N N 0 -1.684 1.184 -2.735
34 CL CL CL1 N N N 0 6.723 1.715 0.887
35 H1 H H1 N N N 0 1.625 3.806 0.28
36 H2 H H2 N N N 0 5.387 -0.774 0.562
37 H3 H H3 N N N 0 -1.673 -2.167 -1.177
38 H4 H H4 N N N 0 -2.3 -1.124 -2.476
39 H5 H H5 N N N 0 -4.029 0.516 -2.026
40 H6 H H6 N N N 0 -2.53 -1.987 1.084
41 H7 H H7 N N N 0 1.283 -3.991 -1.866
42 H8 H H8 N N N 0 2.291 -5.338 -1.286
43 H9 H H9 N N N 0 0.777 -4.931 -0.442
44 H10 H H10 N N N 0 2.034 -4.716 1.707
45 H11 H H11 N N N 0 3.547 -5.123 0.863
46 H12 H H12 N N N 0 3.434 -3.623 1.814
47 H13 H H13 N N N 0 4.441 3.386 0.655
48 H14 H H14 N N N 0 4.144 -2.303 -0.186
49 H15 H H15 N N N 0 4.257 -3.804 -1.136
50 H16 H H16 N N N 0 3.25 -2.457 -1.717
51 H17 H H17 N N N 0 0.074 1.529 -1.875
52 H18 H H18 N N N 0 3.04 -1.336 0.197
53 H19 H H19 N N N 0 -0.396 -0.733 0.762
54 H20 H H20 N N N 0 1.327 -2.318 1.274
55 H21 H H21 N N N 0 -2.033 4.024 -0.33