Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 30B

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 99


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 0.089 -1.883 -1.905
2 C2 C C2 R N N 0 -1.276 -1.719 -1.214
3 C3 C C3 R N N 0 -1.002 -1.194 0.204
4 C4 C C4 N N N 0 0.382 -0.52 0.174
5 N8 N N8 N N N 0 -2.539 -0.214 1.88
6 C5 C C5 R N N 0 1.089 -1.053 -1.082
7 C6 C C6 N N N 0 -2.076 -0.234 0.608
8 O7 O O7 N N N 0 -2.536 0.532 -0.211
9 C9 C C9 N N N 0 -2.012 -3.027 -1.142
10 O10 O O10 N N N 0 -1.479 -4.028 -0.711
11 C11 C C11 S N N 0 -4.734 -0.663 3.077
12 C12 C C12 N N N 0 -4.648 0.742 0.895
13 N13 N N13 N N N 0 -3.314 -3.045 -1.584
14 C14 C C14 N N N 0 -4.044 -4.304 -1.29
15 C15 C C15 N N N 0 -3.93 -1.915 -2.285
16 C16 C C16 R N N 0 -3.929 0.205 2.105
17 C17 C C17 N N N 0 -4.324 0.758 3.473
18 C18 C C18 N N N 0 -6.17 -0.933 2.726
19 C19 C C19 N N N 0 -5.502 -3.95 -0.986
20 C20 C C20 N N N 0 -5.687 -3.763 0.52
21 C21 C C21 N N N 0 -5.325 -2.33 0.912
22 C22 C C22 N N N 0 -6.447 -1.719 1.712
23 O23 O O23 N N N 0 2.193 -1.876 -0.699
24 C24 C C24 N Y N 0 6.868 -3.4 0.375
25 C25 C C25 N Y N 0 5.676 -4.076 0.1
26 C26 C C26 N Y N 0 4.53 -3.389 -0.163
27 C27 C C27 N Y N 0 4.539 -1.987 -0.157
28 C28 C C28 N Y N 0 5.742 -1.291 0.122
29 C29 C C29 N Y N 0 6.91 -2.024 0.389
30 C30 C C30 N Y N 0 3.364 -1.247 -0.427
31 C31 C C31 N Y N 0 3.44 0.121 -0.406
32 S35 S S35 N Y N 0 3.38 3.312 -0.412
33 C32 C C32 N Y N 0 4.662 0.746 -0.123
34 N33 N N33 N Y N 0 5.755 0.045 0.127
35 C34 C C34 N Y N 0 4.73 2.222 -0.104
36 C36 C C36 N Y N 0 4.446 4.693 -0.163
37 C37 C C37 N Y N 0 5.671 4.231 0.118
38 N38 N N38 N Y N 0 5.796 2.926 0.149
39 C39 C C39 N N N 0 6.832 5.153 0.388
40 C40 C C40 N N N 0 7.473 5.567 -0.938
41 C41 C C41 N N N 0 6.335 6.398 1.125
42 O42 O O42 N N N 0 7.996 -4.109 0.639
43 C43 C C43 N N N 0 7.888 -5.534 0.616
44 C44 C C44 N N N 0 8.202 -1.308 0.688
45 N45 N N45 N N N 0 -4.282 1.925 0.363
46 O46 O O46 N N N 0 -5.556 0.109 0.399
47 S47 S S47 N N N 0 -5.153 2.576 -0.886
48 C48 C C48 N N N 0 -6.781 2.927 -0.169
49 O49 O O49 N N N 0 -4.472 3.785 -1.195
50 O50 O O50 N N N 0 -5.243 1.523 -1.836
51 C51 C C51 N N N 0 -7.838 3.547 -1.085
52 C52 C C52 N N N 0 -7.176 4.395 0.003
53 H1 H H1 N N N 0 0.385 -2.932 -1.907
54 H1A H H1A N N N 0 0.04 -1.505 -2.926
55 H2 H H2 N N N 0 -1.869 -0.986 -1.761
56 H3 H H3 N N N 0 -0.969 -2.037 0.897
57 HN8 H HN8 N N N 0 -1.969 -0.469 2.622
58 H4 H H4 N N N 0 0.27 0.562 0.111
59 H4A H H4A N N N 0 0.948 -0.788 1.066
60 H5 H H5 N N N 0 1.451 -0.217 -1.681
61 H11 H H11 N N N 0 -4.206 -1.487 3.562
62 H14 H H14 N N N 0 -3.999 -4.966 -2.155
63 H14A H H14A N N N 0 -3.597 -4.795 -0.426
64 H15 H H15 N N N 0 -3.184 -1.426 -2.911
65 H15A H H15A N N N 0 -4.747 -2.277 -2.909
66 H15B H H15B N N N 0 -4.317 -1.203 -1.557
67 H17 H H17 N N N 0 -5.106 1.517 3.503
68 H17A H H17A N N N 0 -3.536 0.865 4.219
69 H18 H H18 N N N 0 -6.968 -0.488 3.299
70 H19 H H19 N N N 0 -5.765 -3.026 -1.501
71 H19A H H19A N N N 0 -6.15 -4.754 -1.334
72 H20 H H20 N N N 0 -6.726 -3.96 0.785
73 H20A H H20A N N N 0 -5.039 -4.459 1.054
74 H21 H H21 N N N 0 -4.415 -2.337 1.511
75 H21A H H21A N N N 0 -5.16 -1.739 0.011
76 H22 H H22 N N N 0 -7.474 -1.93 1.457
77 H25 H H25 N N N 0 5.664 -5.156 0.094
78 H26 H H26 N N N 0 3.616 -3.923 -0.375
79 H31 H H31 N N N 0 2.561 0.715 -0.608
80 H36 H H36 N N N 0 4.161 5.733 -0.226
81 H39 H H39 N N N 0 7.57 4.637 1.003
82 H40 H H40 N N N 0 6.735 6.083 -1.553
83 H40A H H40A N N N 0 8.313 6.234 -0.743
84 H40B H H40B N N N 0 7.828 4.68 -1.463
85 H41 H H41 N N N 0 5.878 6.102 2.07
86 H41A H H41A N N N 0 7.175 7.064 1.32
87 H41B H H41B N N N 0 5.597 6.913 0.51
88 H43 H H43 N N N 0 8.858 -5.976 0.842
89 H43A H H43A N N N 0 7.16 -5.855 1.361
90 H43B H H43B N N N 0 7.562 -5.857 -0.373
91 H44 H H44 N N N 0 8.744 -1.133 -0.241
92 H44A H H44A N N N 0 7.986 -0.354 1.168
93 H44B H H44B N N N 0 8.81 -1.92 1.354
94 HN45 H HN45 N N N 0 -3.509 2.395 0.712
95 H48 H H48 N N N 0 -7.123 2.222 0.589
96 H51 H H51 N N N 0 -7.555 3.744 -2.119
97 H51A H H51A N N N 0 -8.875 3.25 -0.93
98 H52 H H52 N N N 0 -7.777 4.657 0.873
99 H52A H H52A N N N 0 -6.457 5.15 -0.316