Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 00K

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 82


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 S N N 0 -1.501 2.152 -0.984
2 N1 N N1 N N N 0 -2.78 3.24 0.623
3 O1 O O1 N N N 0 -2.826 -0.164 -0.149
4 C2 C C2 N N N 0 -1.217 3.671 -1.083
5 N2 N N2 N N N 0 -2.531 2.013 0.058
6 O2 O O2 N N N 0 -0.211 0.816 0.472
7 C3 C C3 N N N 0 -2.49 4.26 -0.415
8 N3 N N3 N N N 0 -3.842 -0.114 2.499
9 C4 C C4 N N N 0 -4.186 3.311 1.044
10 C5 C C5 N N N 0 -4.455 2.205 2.064
11 C6 C C6 S N N 0 -4.227 0.832 1.443
12 C7 C C7 N N N 0 -3.149 0.868 0.4
13 C8 C C8 N N N 0 -0.251 1.411 -0.584
14 C9 C C9 N N N 0 -5.53 0.355 0.797
15 C10 C C10 N Y N 0 -5.351 -1.052 0.287
16 C11 C C11 N Y N 0 -4.897 -1.269 -1.0
17 C12 C C12 N Y N 0 -4.733 -2.559 -1.467
18 C13 C C13 N Y N 0 -5.023 -3.634 -0.647
19 C14 C C14 N Y N 0 -5.477 -3.417 0.641
20 C15 C C15 N Y N 0 -5.636 -2.127 1.109
21 C C C S N N 0 3.245 1.31 -1.715
22 N N N N N N 0 0.822 1.41 -1.4
23 O O O N N N 0 3.125 1.116 -3.126
24 CA C CA S N N 0 2.037 0.689 -1.011
25 CB C CB N N N 0 1.91 -0.781 -1.417
26 CD C CD N N N 0 0.652 -2.904 -1.024
27 CE C CE N N N 0 -0.478 -3.557 -0.227
28 CG C CG N N N 0 0.779 -1.434 -0.619
29 CX C CX N N N 0 4.507 0.65 -1.223
30 OX O OX N N N 0 5.186 -0.006 -1.985
31 NZ N NZ N N N 0 -0.6 -4.968 -0.616
32 C1X C C1X N N N 0 6.109 0.147 0.544
33 C6X C C6X N N N 0 5.806 -1.299 0.94
34 C5X C C5X N N N 0 7.088 -1.969 1.44
35 C4X C C4X N N N 0 7.62 -1.208 2.656
36 C3X C C3X N N N 0 7.922 0.239 2.259
37 C2X C C2X N N N 0 6.641 0.908 1.759
38 NX N NX N N N 0 4.881 0.789 0.065
39 H1 H H1 N N N 0 -1.874 1.775 -1.936
40 H2 H H2 N N N 0 -0.321 3.939 -0.524
41 H2A H H2A N N N 0 -1.138 3.988 -2.123
42 H3 H H3 N N N 0 -3.309 4.333 -1.131
43 H3A H H3A N N N 0 -2.281 5.229 0.038
44 HN3 H HN3 N N N 0 -3.684 -1.035 2.119
45 HN3A H HN3A N N N 0 -3.03 0.215 3.0
46 H4 H H4 N N N 0 -4.382 4.282 1.498
47 H4A H H4A N N N 0 -4.834 3.174 0.178
48 H5 H H5 N N N 0 -3.784 2.33 2.914
49 H5A H H5A N N N 0 -5.487 2.277 2.408
50 H9 H H9 N N N 0 -6.331 0.375 1.536
51 H9A H H9A N N N 0 -5.785 1.012 -0.034
52 H11 H H11 N N N 0 -4.67 -0.43 -1.641
53 H12 H H12 N N N 0 -4.379 -2.729 -2.474
54 H13 H H13 N N N 0 -4.895 -4.642 -1.012
55 H14 H H14 N N N 0 -5.703 -4.256 1.281
56 H15 H H15 N N N 0 -5.986 -1.957 2.117
57 HN H HN N N N 0 0.789 1.885 -2.245
58 HO H HO N N N 0 3.085 0.188 -3.394
59 HA H HA N N N 0 2.17 0.758 0.068
60 HB H HB N N N 0 1.688 -0.846 -2.482
61 HD H HD N N N 0 1.589 -3.42 -0.816
62 HDA H HDA N N N 0 0.43 -2.969 -2.089
63 HE H HE N N N 0 -0.256 -3.492 0.838
64 HG H HG N N N 0 1.001 -1.369 0.446
65 HNZ H HNZ N N N 0 0.275 -5.454 -0.493
66 H40 H H40 N N Y 0 3.284 2.377 -1.497
67 H41 H H41 N N N 0 2.847 -1.297 -1.208
68 H42 H H42 N N N 0 -1.415 -3.04 -0.435
69 H43 H H43 N N N 0 -0.158 -0.917 -0.827
70 H44 H H44 N N N 0 -1.341 -5.422 -0.103
71 H6X H H6X N N N 0 5.058 -1.31 1.732
72 H5X H H5X N N N 0 7.837 -1.959 0.648
73 H4X H H4X N N N 0 8.533 -1.685 3.012
74 H3X H H3X N N N 0 8.671 0.249 1.467
75 H2X H H2X N N N 0 6.856 1.939 1.477
76 HNX H HNX N N N 0 4.339 1.313 0.674
77 H1X H H1X N N N 0 6.857 0.158 -0.249
78 H2XA H H2XA N N N 0 5.892 0.898 2.551
79 H3XA H H3XA N N N 0 8.302 0.781 3.125
80 H4XA H H4XA N N N 0 6.872 -1.219 3.448
81 H5XA H H5XA N N N 0 6.873 -3.0 1.723
82 H6XA H H6XA N N N 0 5.427 -1.842 0.074