Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IXJ

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 N1 N N1 N N N 0 -5.026 6.244 -0.567
2 C7 C C1 S N N 0 0.283 -1.011 0.266
3 C8 C C2 N N N 0 0.308 -2.377 -0.424
4 N2 N N2 N N N 0 -0.921 -0.282 -0.14
5 C9 C C3 N N N 0 -0.865 -3.223 0.076
6 O1 O O1 N N N 0 10.983 -0.236 0.867
7 C1 C C4 S N N 0 -3.323 0.263 0.091
8 C5 C C5 N N N 0 -5.259 4.8 -0.704
9 C6 C C6 N N N 0 -2.085 -0.488 0.509
10 N3 N N3 N N N 0 -1.987 -6.745 -0.776
11 C4 C C7 N N N 0 -4.049 4.035 -0.164
12 O4 O O2 N N N 0 -2.135 -1.276 1.429
13 C3 C C8 N N N 0 -4.291 2.531 -0.307
14 O3 O O3 N N N 0 1.382 0.841 -0.699
15 C2 C C9 N N N 0 -3.081 1.766 0.234
16 N4 N N4 N N N 0 2.734 -0.704 0.142
17 N N N5 N N N 0 -4.446 -0.134 0.945
18 C C C10 N N N 0 -5.71 -0.019 0.493
19 O O O4 N N N 0 -5.918 0.414 -0.621
20 C10 C C11 N N N 0 -0.839 -4.588 -0.613
21 C11 C C12 N N N 0 -2.012 -5.434 -0.114
22 C12 C C13 N N N 0 1.505 -0.224 -0.132
23 C13 C C14 N N N 0 3.922 0.061 -0.245
24 C14 C C15 N N N 0 5.179 -0.701 0.179
25 C15 C C16 N N N 0 6.42 0.098 -0.225
26 C16 C C17 N N N 0 7.677 -0.663 0.199
27 C17 C C18 R N N 0 8.918 0.136 -0.205
28 C18 C C19 N N N 0 9.627 2.479 0.035
29 C19 C C20 N N N 0 10.155 -0.669 0.101
30 C20 C C21 N N N 0 -6.865 -0.427 1.371
31 C21 C C22 N Y N 0 -8.16 -0.2 0.635
32 C22 C C23 N Y N 0 -8.698 -1.207 -0.145
33 C23 C C24 N Y N 0 -9.886 -0.999 -0.82
34 C24 C C25 N Y N 0 -10.536 0.216 -0.716
35 C25 C C26 N Y N 0 -9.999 1.223 0.064
36 C29 C C27 N Y N 0 -8.814 1.013 0.744
37 N5 N N6 N N N 0 8.955 1.393 0.545
38 N6 N N7 N N N 0 10.264 2.384 -1.179
39 N7 N N8 N N N 0 9.66 3.598 0.703
40 O2 O O5 N N N 0 10.338 -1.866 -0.478
41 H1 H H1 N N N 0 -5.812 6.772 -0.918
42 H6 H H6 N N N 0 1.246 -2.883 -0.192
43 H2 H H2 N N N 0 -4.825 6.489 0.391
44 H4 H H4 N N N 0 0.276 -1.15 1.347
45 H5 H H5 N N N 0 0.226 -2.241 -1.502
46 H7 H H7 N N N 0 -0.882 0.349 -0.876
47 H8 H H8 N N N 0 -0.781 -3.358 1.154
48 H9 H H9 N N N 0 -1.802 -2.717 -0.155
49 H10 H H10 N N N 0 -3.556 0.029 -0.948
50 H11 H H11 N N N 0 -6.148 4.52 -0.139
51 H12 H H12 N N N 0 -5.404 4.554 -1.756
52 H13 H H13 N N N 0 -2.752 -7.323 -0.463
53 H14 H H14 N N N 0 -1.997 -6.644 -1.78
54 H16 H H16 N N N 0 -3.16 4.315 -0.729
55 H17 H H17 N N N 0 -3.903 4.282 0.888
56 H18 H H18 N N N 0 -5.18 2.251 0.259
57 H19 H H19 N N N 0 -4.436 2.285 -1.358
58 H20 H H20 N N N 0 -2.936 2.013 1.286
59 H21 H H21 N N N 0 -2.192 2.047 -0.331
60 H22 H H22 N N N 0 2.832 -1.556 0.595
61 H23 H H23 N N N 0 -4.279 -0.481 1.836
62 H24 H H24 N N N 0 -0.922 -4.453 -1.692
63 H25 H H25 N N N 0 0.099 -5.094 -0.382
64 H26 H H26 N N N 0 -2.949 -4.928 -0.345
65 H27 H H27 N N N 0 -1.929 -5.57 0.964
66 H28 H H28 N N N 0 3.928 0.2 -1.326
67 H29 H H29 N N N 0 3.903 1.034 0.246
68 H30 H H30 N N N 0 5.173 -0.839 1.26
69 H31 H H31 N N N 0 5.198 -1.673 -0.312
70 H32 H H32 N N N 0 6.426 0.237 -1.306
71 H33 H H33 N N N 0 6.402 1.071 0.266
72 H34 H H34 N N N 0 7.671 -0.802 1.28
73 H35 H H35 N N N 0 7.696 -1.636 -0.292
74 H36 H H36 N N N 0 8.88 0.351 -1.273
75 H37 H H37 N N N 0 -6.772 -1.483 1.626
76 H38 H H38 N N N 0 -6.856 0.169 2.283
77 H39 H H39 N N N 0 -8.189 -2.157 -0.227
78 H40 H H40 N N N 0 -10.305 -1.786 -1.43
79 H41 H H41 N N N 0 -11.464 0.379 -1.244
80 H42 H H42 N N N 0 -10.509 2.171 0.149
81 H43 H H43 N N N 0 -8.394 1.799 1.353
82 H44 H H44 N N N 0 8.505 1.46 1.402
83 H48 H H48 N N N 0 11.146 -2.345 -0.251
84 H45 H H45 N N N 0 10.24 1.552 -1.676
85 H46 H H46 N N N 0 10.738 3.15 -1.539
86 H47 H H47 N N N 0 10.134 4.364 0.343