Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 0K9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 86


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C24 C C24 N N N 0 -5.299 4.037 -1.823
2 C25 C C25 N N N 0 -5.53 4.789 -0.5
3 C26 C C26 N N N 0 -4.511 3.827 0.136
4 C18 C C18 N N N 0 -4.881 2.832 -0.972
5 C19 C C19 N N N 0 -3.681 2.07 -1.537
6 O17 O O17 N N N 0 -5.957 1.963 -0.637
7 C16 C C16 N Y N 0 -5.657 0.817 0.029
8 N23 N N23 N Y N 0 -6.655 0.141 0.589
9 C22 C C22 N Y N 0 -6.456 -0.984 1.244
10 C21 C C21 N Y N 0 -5.185 -1.509 1.376
11 C27 C C27 N N N 0 -4.966 -2.799 2.124
12 C28 C C28 N N N 0 -5.155 -3.98 1.17
13 C30 C C30 N N N 0 -6.538 -3.894 0.52
14 C31 C C31 N N N 0 -4.078 -3.937 0.084
15 C29 C C29 N N N 0 -5.04 -5.29 1.951
16 C20 C C20 N Y N 0 -4.114 -0.833 0.811
17 C15 C C15 N Y N 0 -4.357 0.352 0.131
18 C14 C C14 S N N 0 -3.189 1.093 -0.465
19 N4 N N4 N N N 0 -2.259 0.131 -1.072
20 C3 C C3 N N N 0 -1.059 -0.036 -0.242
21 C2 C C2 R N N 0 -0.032 1.037 -0.608
22 O5 O O5 N N N 0 -0.588 2.331 -0.364
23 C1 C C1 S N N 0 1.224 0.853 0.246
24 N6 N N6 N N N 0 1.848 -0.433 -0.073
25 C33 C C33 N N N 0 2.257 -0.69 -1.331
26 O34 O O34 N N N 0 2.2 0.178 -2.177
27 C35 C C35 R N N 0 2.787 -2.055 -1.688
28 C42 C C42 N N N 0 1.652 -3.078 -1.612
29 O36 O O36 N N N 0 3.316 -2.028 -3.015
30 C37 C C37 N N N 0 4.451 -2.876 -3.205
31 C7 C C7 N N N 0 2.211 1.985 -0.048
32 C8 C C8 N Y N 0 3.393 1.874 0.879
33 C9 C C9 N Y N 0 4.493 1.129 0.507
34 C13 C C13 N Y N 0 3.376 2.525 2.101
35 C12 C C12 N Y N 0 4.458 2.428 2.957
36 C11 C C11 N Y N 0 5.562 1.682 2.598
37 C10 C C10 N Y N 0 5.588 1.028 1.366
38 C32 C C32 N Y N 0 6.769 0.231 0.973
39 N38 N N38 N Y N 0 7.843 0.067 1.691
40 C39 C C39 N Y N 0 8.796 -0.677 1.179
41 C40 C C40 N Y N 0 8.55 -1.186 -0.034
42 S41 S S41 N Y N 0 6.948 -0.654 -0.54
43 H1 H H1 N N N 0 -6.211 3.872 -2.397
44 H2 H H2 N N N 0 -4.489 4.449 -2.424
45 H3 H H3 N N N 0 -5.195 5.826 -0.523
46 H4 H H4 N N N 0 -6.54 4.679 -0.106
47 H5 H H5 N N N 0 -3.482 4.18 0.079
48 H6 H H6 N N N 0 -4.791 3.493 1.135
49 H7 H H7 N N N 0 -3.982 1.518 -2.428
50 H8 H H8 N N N 0 -2.886 2.771 -1.79
51 H9 H H9 N N N 0 -7.295 -1.501 1.684
52 H10 H H10 N N N 0 -3.954 -2.817 2.528
53 H11 H H11 N N N 0 -5.684 -2.872 2.94
54 H12 H H12 N N N 0 -6.673 -4.735 -0.16
55 H13 H H13 N N N 0 -7.305 -3.925 1.293
56 H14 H H14 N N N 0 -6.62 -2.961 -0.036
57 H15 H H15 N N N 0 -3.098 -4.077 0.539
58 H16 H H16 N N N 0 -4.26 -4.731 -0.64
59 H17 H H17 N N N 0 -4.109 -2.971 -0.421
60 H18 H H18 N N N 0 -4.027 -5.393 2.341
61 H19 H H19 N N N 0 -5.748 -5.284 2.779
62 H20 H H20 N N N 0 -5.261 -6.128 1.29
63 H21 H H21 N N N 0 -3.11 -1.221 0.9
64 H22 H H22 N N N 0 -2.674 1.646 0.32
65 H23 H H23 N N N 0 -2.712 -0.756 -1.235
66 H25 H H25 N N N 0 -1.328 0.062 0.81
67 H26 H H26 N N N 0 -0.631 -1.023 -0.417
68 H27 H H27 N N N 0 0.228 0.946 -1.662
69 H28 H H28 N N N 0 -0.844 2.483 0.556
70 H29 H H29 N N N 0 0.952 0.873 1.302
71 H30 H H30 N N N 0 1.966 -1.1 0.621
72 H31 H H31 N N N 0 3.575 -2.333 -0.988
73 H32 H H32 N N N 0 2.052 -4.077 -1.783
74 H33 H H33 N N N 0 1.19 -3.036 -0.625
75 H34 H H34 N N N 0 0.905 -2.85 -2.372
76 H35 H H35 N N N 0 5.281 -2.514 -2.598
77 H36 H H36 N N N 0 4.199 -3.893 -2.905
78 H37 H H37 N N N 0 4.739 -2.868 -4.256
79 H38 H H38 N N N 0 2.551 1.912 -1.081
80 H39 H H39 N N N 0 1.718 2.945 0.105
81 H40 H H40 N N N 0 4.506 0.625 -0.449
82 H41 H H41 N N N 0 2.515 3.111 2.386
83 H42 H H42 N N N 0 4.439 2.938 3.909
84 H43 H H43 N N N 0 6.406 1.608 3.268
85 H44 H H44 N N N 0 9.72 -0.867 1.704
86 H45 H H45 N N N 0 9.217 -1.816 -0.603