Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IXU

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 76


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 -9.437 0.322 -0.606
2 C7 C C1 S N N 0 0.332 -0.657 0.17
3 C8 C C2 N N N 0 0.17 -2.036 0.814
4 N2 N N2 N N N 0 -10.765 2.049 0.19
5 C9 C C3 N N N 0 1.335 -2.935 0.393
6 C1 C C4 N N N 0 -3.274 0.609 0.395
7 C5 C C5 N N N 0 -8.235 0.97 -0.076
8 C6 C C6 N N N 0 -10.667 0.912 -0.44
9 N3 N N3 N N N 0 -11.795 0.303 -0.937
10 C4 C C7 N N N 0 -7.01 0.112 -0.394
11 C3 C C8 N N N 0 -5.755 0.789 0.16
12 O3 O O1 N N N 0 2.824 -1.031 -0.786
13 C2 C C9 N N N 0 -4.529 -0.069 -0.159
14 N4 N N4 N N N 0 2.182 -6.536 1.235
15 N N N5 N N N 0 -2.1 -0.213 0.09
16 C C C10 N N N 0 -0.875 0.188 0.484
17 O O O2 N N N 0 -0.745 1.23 1.09
18 C10 C C11 N N N 0 1.173 -4.313 1.037
19 C11 C C12 N N N 0 2.338 -5.212 0.617
20 C12 C C13 N N N 0 2.737 -0.264 0.149
21 C13 C C14 S N N 0 3.973 0.403 0.694
22 C14 C C15 N N N 0 4.067 1.828 0.146
23 C15 C C16 N N N 0 5.251 2.547 0.795
24 C16 C C17 N N N 0 5.345 3.973 0.247
25 C17 C C18 N N N 0 6.53 4.692 0.896
26 C18 C C19 N N N 0 5.431 -0.528 -1.021
27 C19 C C20 N N N 0 6.65 -1.309 -1.44
28 C20 C C21 N N N 0 6.727 -1.354 -2.967
29 N5 N N6 N N N 0 1.534 -0.009 0.7
30 N6 N N7 N N N 0 6.62 6.06 0.37
31 N7 N N8 N N N 0 5.158 -0.356 0.287
32 O2 O O3 N N N 0 4.696 -0.054 -1.862
33 H1 H H1 N N N 0 -9.364 -0.523 -1.078
34 H2 H H2 N N N 0 0.426 -0.77 -0.91
35 H3 H H3 N N N 0 0.165 -1.932 1.899
36 H4 H H4 N N N 0 -0.769 -2.481 0.487
37 H5 H H5 N N N 0 -11.633 2.466 0.308
38 H6 H H6 N N N 0 1.34 -3.039 -0.692
39 H7 H H7 N N N 0 2.274 -2.489 0.72
40 H8 H H8 N N N 0 -3.159 1.591 -0.064
41 H9 H H9 N N N 0 -3.368 0.721 1.475
42 H10 H H10 N N N 0 -8.12 1.952 -0.534
43 H11 H H11 N N N 0 -8.33 1.083 1.004
44 H12 H H12 N N N 0 -11.723 -0.543 -1.406
45 H13 H H13 N N N 0 -12.663 0.72 -0.82
46 H14 H H14 N N N 0 -7.125 -0.87 0.065
47 H15 H H15 N N N 0 -6.915 0.0 -1.474
48 H16 H H16 N N N 0 -5.64 1.772 -0.299
49 H17 H H17 N N N 0 -5.849 0.902 1.24
50 H18 H H18 N N N 0 -4.435 -0.181 -1.239
51 H19 H H19 N N N 0 -4.644 -1.051 0.3
52 H20 H H20 N N N 0 1.29 -6.943 0.999
53 H21 H H21 N N N 0 2.94 -7.149 0.972
54 H23 H H23 N N N 0 -2.205 -1.047 -0.395
55 H24 H H24 N N N 0 1.168 -4.209 2.122
56 H25 H H25 N N N 0 0.234 -4.759 0.711
57 H26 H H26 N N N 0 3.277 -4.767 0.943
58 H27 H H27 N N N 0 2.343 -5.316 -0.468
59 H28 H H28 N N N 0 3.918 0.435 1.783
60 H29 H H29 N N N 0 4.211 1.793 -0.934
61 H30 H H30 N N N 0 3.147 2.366 0.373
62 H31 H H31 N N N 0 5.107 2.582 1.875
63 H32 H H32 N N N 0 6.172 2.009 0.569
64 H33 H H33 N N N 0 5.489 3.938 -0.833
65 H34 H H34 N N N 0 4.425 4.511 0.474
66 H35 H H35 N N N 0 6.386 4.727 1.976
67 H36 H H36 N N N 0 7.45 4.154 0.669
68 H37 H H37 N N N 0 7.544 -0.826 -1.046
69 H38 H H38 N N N 0 6.583 -2.325 -1.049
70 H39 H H39 N N N 0 7.608 -1.919 -3.27
71 H40 H H40 N N N 0 5.832 -1.837 -3.362
72 H41 H H41 N N N 0 6.794 -0.339 -3.358
73 H42 H H42 N N N 0 1.464 0.605 1.448
74 H43 H H43 N N N 0 7.395 6.556 0.783
75 H44 H H44 N N N 0 6.689 6.056 -0.637
76 H46 H H46 N N N 0 5.745 -0.735 0.959