Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : K36

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 64


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C7 C C7 N N N 0 5.319 0.339 -0.815
2 O8 O O8 N N N 0 4.21 -0.168 -0.027
3 C9 C C9 N N N 0 2.987 -0.116 -0.588
4 O10 O O10 N N N 0 2.85 0.342 -1.705
5 C1 C C1 N Y N 0 6.598 0.199 -0.03
6 C2 C C2 N Y N 0 7.352 -0.955 -0.137
7 C3 C C3 N Y N 0 8.525 -1.083 0.582
8 C4 C C4 N Y N 0 8.945 -0.058 1.409
9 C5 C C5 N Y N 0 8.191 1.097 1.515
10 C6 C C6 N Y N 0 7.02 1.227 0.792
11 N11 N N11 N N N 0 1.914 -0.57 0.09
12 C12 C C12 S N N 0 0.571 -0.413 -0.473
13 C17 C C17 N N N 0 -0.433 -0.306 0.645
14 O18 O O18 N N N 0 -0.112 -0.594 1.779
15 C13 C C13 N N N 0 0.238 -1.627 -1.343
16 C14 C C14 N N N 0 -1.066 -1.367 -2.102
17 C15 C C15 N N N 0 -0.854 -0.232 -3.106
18 C16 C C16 N N N 0 -1.483 -2.637 -2.847
19 N19 N N19 N N N 0 -1.688 0.111 0.386
20 C20 C C20 S N N 0 -2.625 0.345 1.488
21 C21 C C21 S N N 0 -3.299 -0.973 1.874
22 O22 O O22 N N N 0 -4.295 -0.725 2.868
23 C24 C C24 N N N 0 -3.689 1.353 1.048
24 C25 C C25 S N N 0 -3.029 2.707 0.782
25 C26 C C26 N N N 0 -4.09 3.753 0.364
26 C27 C C27 N N N 0 -4.037 3.657 -1.177
27 N28 N N28 N N N 0 -2.691 3.164 -1.492
28 C29 C C29 N N N 0 -2.104 2.621 -0.412
29 O30 O O30 N N N 0 -0.994 2.132 -0.396
30 S1 S S1 N N Y 0 -4.076 -1.706 0.409
31 O1 O O1 N N Y 0 -5.109 -0.862 -0.083
32 O2 O O2 N N Y 0 -3.09 -2.242 -0.463
33 O3 O O3 N N Y 0 -4.811 -2.928 0.94
34 H1 H H1 N N N 0 5.397 -0.23 -1.741
35 H2 H H2 N N N 0 5.148 1.39 -1.047
36 H3 H H3 N N N 0 7.024 -1.756 -0.783
37 H18 H H18 N N N 0 9.113 -1.985 0.499
38 H28 H H28 N N N 0 9.861 -0.158 1.971
39 H29 H H29 N N N 0 8.519 1.898 2.161
40 H30 H H30 N N N 0 6.432 2.129 0.875
41 H4 H H4 N N N 0 2.032 -1.002 0.951
42 H5 H H5 N N N 0 0.536 0.491 -1.081
43 H6 H H6 N N N 0 1.045 -1.796 -2.056
44 H7 H H7 N N N 0 0.121 -2.506 -0.711
45 H8 H H8 N N N 0 -1.847 -1.087 -1.396
46 H9 H H9 N N N 0 -1.802 0.007 -3.588
47 H10 H H10 N N N 0 -0.48 0.649 -2.585
48 H11 H H11 N N N 0 -0.131 -0.544 -3.859
49 H12 H H12 N N N 0 -1.633 -3.445 -2.132
50 H13 H H13 N N N 0 -2.411 -2.452 -3.388
51 H14 H H14 N N N 0 -0.701 -2.917 -3.553
52 H15 H H15 N N N 0 -1.972 0.255 -0.53
53 H16 H H16 N N N 0 -2.083 0.742 2.347
54 H17 H H17 N N N 0 -2.552 -1.66 2.272
55 H19 H H19 N N N 0 -4.993 -0.12 2.583
56 H20 H H20 N N N 0 -4.17 0.998 0.137
57 H21 H H21 N N N 0 -4.435 1.46 1.835
58 H22 H H22 N N N 0 -2.484 3.045 1.663
59 H23 H H23 N N N 0 -5.076 3.478 0.738
60 H24 H H24 N N N 0 -3.809 4.75 0.703
61 H25 H H25 N N N 0 -4.79 2.955 -1.537
62 H26 H H26 N N N 0 -4.193 4.64 -1.621
63 H27 H H27 N N N 0 -2.278 3.222 -2.368
64 H31 H H31 N N Y 0 -5.282 -3.43 0.261