Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JJ1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 88


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O4 O O4 N N N 0 0.638 -0.449 1.12
2 C6 C C6 N N N 0 0.78 0.186 0.096
3 N1 N N1 N N N 0 1.99 0.25 -0.494
4 C1 C C1 S N N 0 3.133 -0.447 0.101
5 C2 C C2 N N N 0 3.144 -1.903 -0.369
6 C3 C C3 N N N 0 1.906 -2.622 0.171
7 C4 C C4 N N N 0 1.917 -4.078 -0.299
8 C5 C C5 N N N 0 0.679 -4.797 0.24
9 N N N N N N 0 0.689 -6.195 -0.211
10 C C C N N N 0 4.411 0.229 -0.326
11 N3 N N3 N N N 0 5.598 -0.243 0.103
12 C19 C C19 N N N 0 6.84 0.413 -0.313
13 C20 C C20 N N N 0 8.034 -0.314 0.309
14 C21 C C21 N N N 0 9.332 0.371 -0.125
15 C26 C C26 N N N 0 10.529 -0.428 0.393
16 C25 C C25 N N N 0 11.826 0.257 -0.04
17 C24 C C24 N N N 0 11.871 1.674 0.535
18 C23 C C23 N N N 0 10.674 2.474 0.017
19 C22 C C22 N N N 0 9.377 1.788 0.451
20 O O O N N N 0 4.371 1.197 -1.056
21 C7 C C7 S N N 0 -0.397 0.897 -0.519
22 C8 C C8 N N N 0 -0.106 2.398 -0.591
23 O1 O O1 N N N 0 0.234 2.88 0.711
24 N2 N N2 N N N 0 -1.589 0.67 0.302
25 C9 C C9 N N N 0 -2.815 0.751 -0.253
26 O3 O O3 N N N 0 -2.931 1.011 -1.432
27 C10 C C10 N N N 0 -4.041 0.517 0.592
28 C11 C C11 N N N 0 -5.293 0.666 -0.275
29 C12 C C12 N N N 0 -6.538 0.428 0.583
30 C13 C C13 N N N 0 -7.79 0.578 -0.283
31 C14 C C14 N N N 0 -9.035 0.34 0.574
32 C15 C C15 N N N 0 -10.287 0.49 -0.292
33 C16 C C16 N N N 0 -11.531 0.252 0.565
34 C17 C C17 N N N 0 -12.784 0.402 -0.301
35 C18 C C18 N N N 0 -14.028 0.164 0.556
36 O2 O O2 N N N 0 -15.198 0.304 -0.253
37 H1 H H1 N N N 0 2.104 0.758 -1.313
38 H7 H H7 N N N 0 -0.57 0.512 -1.524
39 HA H HA N N N 0 3.052 -0.416 1.188
40 H21C H H21C N N N 0 3.136 -1.933 -1.458
41 H22C H H22C N N N 0 4.042 -2.397 0.002
42 H31C H H31C N N N 0 1.914 -2.592 1.26
43 H32C H H32C N N N 0 1.008 -2.127 -0.2
44 H41C H H41C N N N 0 1.909 -4.108 -1.389
45 H42C H H42C N N N 0 2.815 -4.573 0.071
46 H51C H H51C N N N 0 0.687 -4.767 1.33
47 H52C H H52C N N N 0 -0.219 -4.302 -0.13
48 HN1 H HN1 N N N 0 -0.119 -6.692 0.132
49 HN2 H HN2 N N N 0 0.747 -6.25 -1.217
50 H3 H H3 N N N 0 5.631 -1.017 0.686
51 H191 H H191 N N N 0 6.922 0.383 -1.399
52 H192 H H192 N N N 0 6.833 1.451 0.022
53 H201 H H201 N N N 0 7.953 -0.284 1.395
54 H202 H H202 N N N 0 8.042 -1.352 -0.026
55 H21 H H21 N N N 0 9.371 0.42 -1.213
56 H261 H H261 N N N 0 10.49 -0.477 1.482
57 H262 H H262 N N N 0 10.497 -1.438 -0.017
58 H221 H H221 N N N 0 8.524 2.358 0.082
59 H222 H H222 N N N 0 9.338 1.74 1.539
60 H251 H H251 N N N 0 12.679 -0.312 0.329
61 H252 H H252 N N N 0 11.865 0.306 -1.129
62 H241 H H241 N N N 0 11.832 1.626 1.623
63 H242 H H242 N N N 0 12.795 2.163 0.226
64 H231 H H231 N N N 0 10.706 3.483 0.427
65 H232 H H232 N N N 0 10.713 2.522 -1.071
66 H81C H H81C N N N 0 0.726 2.574 -1.273
67 H82C H H82C N N N 0 -0.99 2.923 -0.953
68 H2 H H2 N N N 0 -1.496 0.462 1.245
69 HB H HB N N N 0 0.432 3.826 0.741
70 H101 H H101 N N N 0 -4.007 -0.489 1.011
71 H102 H H102 N N N 0 -4.069 1.247 1.401
72 H111 H H111 N N N 0 -5.327 1.672 -0.694
73 H112 H H112 N N N 0 -5.264 -0.064 -1.084
74 H121 H H121 N N N 0 -6.504 -0.577 1.002
75 H122 H H122 N N N 0 -6.566 1.158 1.392
76 H131 H H131 N N N 0 -7.824 1.584 -0.703
77 H132 H H132 N N N 0 -7.761 -0.152 -1.092
78 H141 H H141 N N N 0 -9.0 -0.665 0.993
79 H142 H H142 N N N 0 -9.063 1.071 1.383
80 H151 H H151 N N N 0 -10.321 1.495 -0.711
81 H152 H H152 N N N 0 -10.258 -0.24 -1.101
82 H161 H H161 N N N 0 -11.497 -0.753 0.984
83 H181 H H181 N N N 0 -13.994 -0.841 0.975
84 H162 H H162 N N N 0 -11.56 0.982 1.374
85 H171 H H171 N N N 0 -12.818 1.407 -0.72
86 H172 H H172 N N N 0 -12.755 -0.328 -1.11
87 H182 H H182 N N N 0 -14.057 0.894 1.365
88 HC H HC N N N 0 -16.026 0.166 0.226