Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : J81

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 103


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C9 C C1 N N N 0 17.108 -1.197 0.921
2 C8 C C2 N N N 0 15.91 -0.249 1.019
3 C7 C C3 N N N 0 14.637 -0.992 0.608
4 C6 C C4 N N N 0 13.44 -0.044 0.706
5 C5 C C5 N N N 0 12.167 -0.786 0.295
6 C4 C C6 N N N 0 10.97 0.161 0.394
7 C3 C C7 N N N 0 9.696 -0.581 -0.017
8 C2 C C8 N N N 0 8.499 0.366 0.081
9 C1 C C9 N N N 0 7.226 -0.376 -0.33
10 N2 N N1 N N N 0 6.08 0.531 -0.236
11 C18 C C10 N N N 0 4.845 0.093 -0.552
12 O O O1 N N N 0 4.683 -1.054 -0.914
13 C19 C C11 N N N 0 3.666 1.026 -0.455
14 C20 C C12 N N N 0 2.393 0.283 -0.866
15 C21 C C13 N N N 0 1.196 1.231 -0.768
16 C22 C C14 R N N 0 -0.077 0.489 -1.179
17 O3 O O2 N N N 0 -0.344 -0.555 -0.24
18 C23 C C15 S N N 0 -1.253 1.467 -1.201
19 O2 O O3 N N N 0 -0.987 2.511 -2.139
20 C24 C C16 S N N 0 -2.527 0.725 -1.612
21 C25 C C17 N N N 0 -3.673 1.726 -1.767
22 O5 O O4 N N N 0 -3.827 2.466 -0.554
23 C28 C C18 S N N 0 -4.878 3.434 -0.594
24 O9 O O5 N N N 0 -6.141 2.766 -0.613
25 C27 C C19 R N N 0 -6.367 1.913 0.512
26 C26 C C20 N N N 0 -7.73 1.233 0.37
27 O8 O O6 N N N 0 -7.714 0.365 -0.765
28 C31 C C21 R N N 0 -6.343 2.747 1.796
29 O7 O O7 N N N 0 -7.401 3.706 1.762
30 C30 C C22 S N N 0 -4.998 3.472 1.899
31 O4 O O8 N N N 0 -4.994 4.31 3.057
32 C29 C C23 R N N 0 -4.794 4.328 0.646
33 O6 O O9 N N N 0 -3.51 4.953 0.698
34 N1 N N2 N N N 0 -2.873 -0.258 -0.582
35 C17 C C24 N N N 0 -3.605 -1.343 -0.904
36 O1 O O10 N N N 0 -3.977 -1.506 -2.047
37 C10 C C25 N N N 0 -3.961 -2.354 0.155
38 C11 C C26 N N N 0 -4.789 -3.478 -0.47
39 C12 C C27 N N N 0 -5.15 -4.504 0.605
40 C13 C C28 N N N 0 -5.978 -5.629 -0.02
41 C14 C C29 N N N 0 -6.34 -6.655 1.056
42 C15 C C30 N N N 0 -7.168 -7.779 0.43
43 C16 C C31 N N N 0 -7.529 -8.806 1.506
44 H1 H H1 N N N 0 18.014 -0.668 1.214
45 H2 H H2 N N N 0 16.953 -2.048 1.584
46 H3 H H3 N N N 0 17.208 -1.55 -0.105
47 H4 H H4 N N N 0 15.81 0.104 2.045
48 H5 H H5 N N N 0 16.065 0.601 0.355
49 H6 H H6 N N N 0 14.738 -1.345 -0.418
50 H7 H H7 N N N 0 14.482 -1.842 1.272
51 H8 H H8 N N N 0 13.339 0.309 1.732
52 H9 H H9 N N N 0 13.595 0.807 0.043
53 H13 H H13 N N N 0 11.124 1.012 -0.27
54 H10 H H10 N N N 0 12.267 -1.14 -0.731
55 H11 H H11 N N N 0 12.012 -1.637 0.959
56 H12 H H12 N N N 0 10.869 0.515 1.42
57 H14 H H14 N N N 0 9.797 -0.935 -1.043
58 H15 H H15 N N N 0 9.542 -1.432 0.646
59 H16 H H16 N N N 0 8.399 0.72 1.107
60 H17 H H17 N N N 0 8.654 1.217 -0.583
61 H18 H H18 N N N 0 7.327 -0.729 -1.356
62 H19 H H19 N N N 0 7.071 -1.227 0.334
63 H20 H H20 N N N 0 6.209 1.448 0.053
64 H21 H H21 N N N 0 3.566 1.379 0.571
65 H22 H H22 N N N 0 3.821 1.877 -1.119
66 H23 H H23 N N N 0 2.493 -0.07 -1.892
67 H24 H H24 N N N 0 2.238 -0.567 -0.202
68 H25 H H25 N N N 0 1.095 1.584 0.258
69 H26 H H26 N N N 0 1.35 2.082 -1.431
70 H27 H H27 N N N 0 0.057 0.059 -2.171
71 H28 H H28 N N N 0 -0.474 -0.245 0.667
72 H29 H H29 N N N 0 -1.388 1.896 -0.208
73 H30 H H30 N N N 0 -0.83 2.199 -3.041
74 H34 H H34 N N N 0 -4.776 4.044 -1.49
75 H31 H H31 N N N 0 -2.359 0.213 -2.56
76 H32 H H32 N N N 0 -3.449 2.411 -2.585
77 H33 H H33 N N N 0 -4.597 1.189 -1.985
78 H35 H H35 N N N 0 -5.585 1.155 0.556
79 H36 H H36 N N N 0 -7.942 0.653 1.269
80 H37 H H37 N N N 0 -8.502 1.991 0.237
81 H38 H H38 N N N 0 -8.548 -0.101 -0.916
82 H39 H H39 N N N 0 -6.472 2.092 2.658
83 H40 H H40 N N N 0 -7.446 4.271 2.546
84 H41 H H41 N N N 0 -4.194 2.74 1.977
85 H42 H H42 N N N 0 -4.171 4.8 3.185
86 H43 H H43 N N N 0 -5.57 5.092 0.597
87 H44 H H44 N N N 0 -3.311 5.508 -0.068
88 H45 H H45 N N N 0 -2.575 -0.128 0.332
89 H46 H H46 N N N 0 -3.048 -2.769 0.582
90 H47 H H47 N N N 0 -4.541 -1.869 0.94
91 H48 H H48 N N N 0 -5.701 -3.063 -0.897
92 H49 H H49 N N N 0 -4.208 -3.963 -1.255
93 H50 H H50 N N N 0 -4.238 -4.92 1.033
94 H51 H H51 N N N 0 -5.73 -4.019 1.39
95 H52 H H52 N N N 0 -6.891 -5.213 -0.447
96 H53 H H53 N N N 0 -5.398 -6.114 -0.805
97 H54 H H54 N N N 0 -5.427 -7.07 1.483
98 H55 H H55 N N N 0 -6.92 -6.17 1.84
99 H56 H H56 N N N 0 -8.081 -7.364 0.003
100 H57 H H57 N N N 0 -6.588 -8.264 -0.355
101 H58 H H58 N N N 0 -6.617 -9.221 1.933
102 H59 H H59 N N N 0 -8.11 -8.32 2.291
103 H60 H H60 N N N 0 -8.119 -9.606 1.06