Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : YKS

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 83


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C11 C C1 S N N 0 3.645 0.588 -0.026
2 C12 C C2 N N N 0 4.598 0.365 1.149
3 C13 C C3 S N N 0 3.856 0.62 2.463
4 C14 C C4 N N N 0 4.778 0.402 3.642
5 C17 C C5 N N N 0 3.446 2.107 2.573
6 C19 C C6 R N N 0 4.423 0.493 -1.34
7 C23 C C7 S N N 0 -3.775 1.319 0.208
8 C02 C C8 N N N 0 -1.784 0.068 -0.198
9 C04 C C9 S N N 0 0.284 -1.197 -0.443
10 C05 C C10 N N N 0 0.722 -2.395 -1.289
11 C06 C C11 N N N 0 -0.308 -3.518 -1.155
12 C07 C C12 N N N 0 -1.628 -3.078 -1.794
13 C08 C C13 N N N 0 0.209 -4.771 -1.864
14 C09 C C14 N N N 0 1.362 -0.145 -0.465
15 C16 C C15 N N N 0 3.635 2.376 4.082
16 C24 C C16 N N N 0 -4.447 2.429 -0.603
17 C25 C C17 N Y N 0 -3.394 3.353 -1.158
18 C26 C C18 N Y N 0 -2.98 4.449 -0.425
19 C27 C C19 N Y N 0 -2.014 5.297 -0.935
20 C28 C C20 N Y N 0 -1.462 5.048 -2.177
21 C29 C C21 N Y N 0 -1.875 3.951 -2.91
22 C30 C C22 N Y N 0 -2.838 3.101 -2.399
23 C31 C C23 N N N 0 -4.847 0.454 0.874
24 C32 C C24 N N N 0 -4.179 -0.561 1.803
25 C33 C C25 N N N 0 -5.251 -1.426 2.47
26 C34 C C26 N N N 0 -6.049 -2.166 1.395
27 C37 C C27 N N N 0 -6.718 -1.151 0.466
28 C38 C C28 N N N 0 -5.646 -0.286 -0.2
29 F35 F F1 N N N 0 -7.029 -2.957 2.004
30 F36 F F2 N N N 0 -5.188 -2.981 0.653
31 N03 N N1 N N N 0 -0.954 -0.639 -0.991
32 N10 N N2 N N N 0 2.596 -0.435 -0.005
33 N15 N N3 N N N 0 4.638 1.402 4.53
34 O01 O O1 N N N 0 -1.463 0.32 0.946
35 O18 O O2 N N N 0 5.534 -0.538 3.769
36 O20 O O3 N N N 0 3.558 0.815 -2.431
37 O21 O O4 N N N 0 1.121 0.962 -0.896
38 O22 O O5 N N N 0 -2.969 0.495 -0.674
39 H1 H H1 N N N 0 3.191 1.576 0.056
40 H2 H H2 N N N 0 4.963 -0.662 1.132
41 H3 H H3 N N N 0 5.441 1.052 1.069
42 H4 H H4 N N N 0 2.98 -0.024 2.537
43 H5 H H5 N N N 0 4.105 2.739 1.978
44 H6 H H6 N N N 0 2.405 2.247 2.279
45 S1 S S1 N N Y 0 5.055 -1.195 -1.547
46 H8 H H8 N N N 0 5.258 1.193 -1.319
47 H9 H H9 N N N 0 -3.139 1.763 0.974
48 H10 H H10 N N N 0 0.113 -1.521 0.584
49 H11 H H11 N N N 0 0.797 -2.093 -2.334
50 H12 H H12 N N N 0 1.693 -2.749 -0.942
51 H13 H H13 N N N 0 -0.471 -3.738 -0.1
52 H14 H H14 N N N 0 -2.323 -3.917 -1.803
53 H15 H H15 N N N 0 -2.055 -2.258 -1.217
54 H16 H H16 N N N 0 -1.444 -2.747 -2.816
55 H17 H H17 N N N 0 1.149 -5.084 -1.409
56 H18 H H18 N N N 0 -0.525 -5.571 -1.769
57 H19 H H19 N N N 0 0.371 -4.551 -2.919
58 H20 H H20 N N N 0 3.998 3.391 4.242
59 H21 H H21 N N N 0 2.696 2.224 4.613
60 H22 H H22 N N N 0 -5.013 1.988 -1.423
61 H23 H H23 N N N 0 -5.122 2.993 0.042
62 H24 H H24 N N N 0 -3.411 4.644 0.546
63 H25 H H25 N N N 0 -1.691 6.154 -0.362
64 H26 H H26 N N N 0 -0.707 5.71 -2.575
65 H27 H H27 N N N 0 -1.444 3.756 -3.881
66 H28 H H28 N N N 0 -3.158 2.242 -2.969
67 H29 H H29 N N N 0 -5.518 1.089 1.453
68 H30 H H30 N N N 0 -3.508 -1.196 1.225
69 H31 H H31 N N N 0 -3.61 -0.034 2.569
70 H32 H H32 N N N 0 -4.774 -2.149 3.132
71 H33 H H33 N N N 0 -5.922 -0.791 3.048
72 H34 H H34 N N N 0 -7.287 -1.679 -0.299
73 H35 H H35 N N N 0 -7.389 -0.516 1.045
74 H36 H H36 N N N 0 -6.122 0.437 -0.862
75 H37 H H37 N N N 0 -4.975 -0.921 -0.779
76 H38 H H38 N N N 0 -1.177 -0.778 -1.925
77 H39 H H39 N N N 0 2.789 -1.321 0.34
78 H40 H H40 N N N 0 5.135 1.47 5.36
79 H41 H H41 N N N 0 2.792 0.231 -2.511
80 O1 O O6 N N Y 0 6.063 -1.472 -0.585
81 O2 O O7 N N Y 0 3.986 -2.104 -1.771
82 O3 O O8 N N Y 0 5.801 -1.161 -2.873
83 H7 H H7 N N Y 0 6.2 -2.006 -3.122