Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : K60

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 81


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O10 O O10 N N N 0 -5.896 -2.491 1.297
2 S8 S S8 N N N 0 -4.659 -1.793 1.317
3 O9 O O9 N N N 0 -4.039 -1.344 2.515
4 C5 C C5 N Y N 0 -3.487 -2.834 0.511
5 C4 C C4 N Y N 0 -2.139 -2.691 0.779
6 C3 C C3 N Y N 0 -1.216 -3.508 0.146
7 C2 C C2 N Y N 0 -1.651 -4.472 -0.76
8 O19 O O19 N N N 0 -0.562 -5.14 -1.243
9 O29 O O29 N N N 0 0.145 -3.572 0.231
10 C18 C C18 N N N 0 0.505 -4.852 -0.32
11 C7 C C7 N Y N 0 -3.004 -4.609 -1.024
12 C6 C C6 N Y N 0 -3.92 -3.795 -0.384
13 N11 N N11 N N N 0 -4.862 -0.454 0.365
14 C12 C C12 N N N 0 -5.894 -0.444 -0.674
15 C13 C C13 N N N 0 -7.179 0.169 -0.111
16 C14 C C14 N N N 0 -6.937 1.642 0.225
17 C15 C C15 N N N 0 -8.295 0.059 -1.152
18 C16 C C16 N N N 0 -4.009 0.721 0.562
19 C17 C C17 R N N 0 -2.815 0.65 -0.391
20 O18 O O18 N N N 0 -3.276 0.739 -1.741
21 C19 C C19 S N N 0 -1.86 1.809 -0.101
22 C32 C C32 N N N 0 -2.555 3.135 -0.421
23 C38 C C38 N Y N 0 -1.662 4.28 -0.02
24 C33 C C33 N Y N 0 -0.757 4.801 -0.926
25 C34 C C34 N Y N 0 0.062 5.852 -0.558
26 C35 C C35 N Y N 0 -0.023 6.382 0.716
27 C36 C C36 N Y N 0 -0.928 5.861 1.622
28 C37 C C37 N Y N 0 -1.75 4.813 1.253
29 N20 N N20 N N N 0 -0.66 1.674 -0.931
30 C21 C C21 N N N 0 0.501 2.231 -0.533
31 O22 O O22 N N N 0 0.553 2.844 0.513
32 C29 C C29 S N N 0 1.735 2.092 -1.386
33 O28 O O28 N N N 0 2.844 2.838 -0.806
34 C26 C C26 N N N 0 3.839 1.996 -0.506
35 O27 O O27 N N N 0 4.886 2.358 -0.008
36 C25 C C25 N N N 0 2.228 0.632 -1.389
37 N24 N N24 N N N 0 3.575 0.716 -0.804
38 C43 C C43 N Y N 0 4.44 -0.363 -0.595
39 C44 C C44 N Y N 0 4.049 -1.648 -0.948
40 C45 C C45 N Y N 0 4.905 -2.711 -0.74
41 C40 C C40 N Y N 0 6.151 -2.498 -0.179
42 C42 C C42 N Y N 0 5.695 -0.152 -0.037
43 C41 C C41 N Y N 0 6.544 -1.22 0.175
44 C46 C C46 N N N 0 7.902 -0.993 0.786
45 F1 F F1 N N N 0 8.575 -2.214 0.894
46 F2 F F2 N N N 0 8.639 -0.124 -0.026
47 F3 F F3 N N N 0 7.752 -0.429 2.057
48 H4 H H4 N N N 0 -1.804 -1.942 1.482
49 H18 H H18 N N N 0 0.548 -5.608 0.464
50 H18A H H18A N N N 0 1.458 -4.789 -0.845
51 H7 H H7 N N N 0 -3.344 -5.356 -1.726
52 H6 H H6 N N N 0 -4.974 -3.906 -0.587
53 H12 H H12 N N N 0 -5.551 0.149 -1.522
54 H12A H H12A N N N 0 -6.091 -1.465 -1.0
55 H13 H H13 N N N 0 -7.47 -0.367 0.793
56 H14 H H14 N N N 0 -6.518 2.148 -0.645
57 H14A H H14A N N N 0 -7.881 2.111 0.5
58 H14B H H14B N N N 0 -6.239 1.714 1.059
59 H15 H H15 N N N 0 -8.467 -0.99 -1.391
60 H15A H H15A N N N 0 -9.21 0.495 -0.751
61 H15B H H15B N N N 0 -8.003 0.595 -2.055
62 H16 H H16 N N N 0 -4.583 1.625 0.359
63 H16A H H16A N N N 0 -3.651 0.742 1.592
64 H17 H H17 N N N 0 -2.292 -0.296 -0.249
65 HO18 H HO18 N N N 0 -3.752 1.557 -1.94
66 H19 H H19 N N N 0 -1.577 1.792 0.952
67 H32 H H32 N N N 0 -2.758 3.189 -1.49
68 H32A H H32A N N N 0 -3.493 3.195 0.131
69 H33 H H33 N N N 0 -0.691 4.387 -1.922
70 H34 H H34 N N N 0 0.769 6.259 -1.266
71 H35 H H35 N N N 0 0.618 7.202 1.003
72 H36 H H36 N N N 0 -0.994 6.274 2.617
73 H37 H H37 N N N 0 -2.46 4.409 1.959
74 HN20 H HN20 N N N 0 -0.702 1.184 -1.767
75 H29 H H29 N N N 0 1.536 2.432 -2.402
76 H25 H H25 N N N 0 1.581 0.008 -0.772
77 H25A H H25A N N N 0 2.276 0.246 -2.407
78 H44 H H44 N N N 0 3.075 -1.815 -1.386
79 H45 H H45 N N N 0 4.601 -3.711 -1.015
80 H40 H H40 N N N 0 6.818 -3.332 -0.017
81 H42 H H42 N N N 0 6.004 0.846 0.235