Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 62S

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 77


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C15 C C1 S N N 0 0.019 -1.659 -0.781
2 C17 C C2 N Y N 0 2.488 -1.888 -0.794
3 C22 C C3 N Y N 0 5.357 -1.114 1.298
4 C24 C C4 N Y N 0 7.42 -0.103 2.02
5 C26 C C5 N Y N 0 6.293 -1.677 3.436
6 C01 C C6 N Y N 0 -6.655 0.239 0.546
7 C02 C C7 N Y N 0 -6.399 0.916 1.724
8 C03 C C8 N Y N 0 -7.434 1.519 2.414
9 C04 C C9 N Y N 0 -8.725 1.444 1.927
10 C05 C C10 N Y N 0 -8.982 0.767 0.749
11 C06 C C11 N Y N 0 -7.947 0.165 0.059
12 C07 C C12 N N N 0 -5.526 -0.412 -0.21
13 C08 C C13 N N N 0 -5.348 -1.851 0.279
14 C09 C C14 R N N 0 -4.201 -2.512 -0.488
15 C14 C C15 N N N 0 -1.295 -2.366 -1.118
16 C16 C C16 N N N 0 1.195 -2.526 -1.235
17 C18 C C17 N Y N 0 3.137 -2.102 0.373
18 C19 C C18 N Y N 0 4.288 -1.27 0.282
19 C23 C C19 N Y N 0 6.429 -0.247 1.063
20 C25 C C20 N Y N 0 7.349 -0.814 3.203
21 C27 C C21 N Y N 0 5.295 -1.826 2.494
22 C29 C C22 N N N 0 0.07 -0.331 -1.491
23 C32 C C23 S N N 0 1.193 1.763 -2.032
24 C33 C C24 N N N 0 1.717 1.565 -3.431
25 C36 C C25 N N N 0 2.119 2.713 -1.27
26 C37 C C26 N Y N 0 1.531 3.008 0.086
27 C38 C C27 N Y N 0 0.671 4.079 0.248
28 C39 C C28 N Y N 0 0.132 4.35 1.492
29 C40 C C29 N Y N 0 0.452 3.55 2.573
30 C41 C C30 N Y N 0 1.311 2.479 2.41
31 N31 N N3 N N N 0 1.143 0.472 -1.342
32 C42 C C31 N Y N 0 1.847 2.205 1.166
33 N10 N N1 N N N 0 -4.03 -3.894 -0.019
34 N20 N N2 N Y N 0 4.212 -0.67 -0.88
35 N35 N N4 N N N 0 1.85 2.622 -4.257
36 O28 O O4 N N N 0 6.498 0.451 -0.1
37 O12 O O1 N N N 0 -2.348 -1.573 1.243
38 O13 O O2 N N N 0 -2.849 -0.065 -0.718
39 O21 O O3 N Y N 0 3.22 -1.003 -1.486
40 O30 O O5 N N N 0 -0.853 0.016 -2.197
41 O34 O O6 N N N 0 2.019 0.455 -3.814
42 P11 P P1 N N N 0 -2.661 -1.579 -0.204
43 H151 H H1 N N N 0 0.079 -1.498 0.295
44 H241 H H2 N N N 0 8.248 0.568 1.843
45 H261 H H3 N N N 0 6.244 -2.23 4.363
46 H021 H H4 N N N 0 -5.39 0.974 2.105
47 H031 H H5 N N N 0 -7.234 2.047 3.335
48 H041 H H6 N N N 0 -9.534 1.914 2.467
49 H051 H H7 N N N 0 -9.991 0.708 0.369
50 H061 H H8 N N N 0 -8.147 -0.364 -0.861
51 H072 H H9 N N N 0 -5.757 -0.416 -1.275
52 H071 H H10 N N N 0 -4.605 0.146 -0.04
53 H081 H H11 N N N 0 -5.117 -1.847 1.344
54 H082 H H12 N N N 0 -6.268 -2.409 0.109
55 H091 H H13 N N N 0 -4.432 -2.516 -1.554
56 H142 H H14 N N N 0 -1.484 -2.292 -2.189
57 H141 H H15 N N N 0 -1.226 -3.417 -0.834
58 H161 H H16 N N N 0 1.109 -3.517 -0.79
59 H162 H H17 N N N 0 1.185 -2.613 -2.321
60 H181 H H18 N N N 0 2.848 -2.753 1.185
61 H251 H H19 N N N 0 8.122 -0.696 3.948
62 H271 H H20 N N N 0 4.468 -2.493 2.684
63 H321 H H21 N N N 0 0.191 2.191 -2.076
64 H362 H H22 N N N 0 3.097 2.247 -1.148
65 H361 H H23 N N N 0 2.227 3.642 -1.829
66 H381 H H24 N N N 0 0.421 4.703 -0.597
67 H391 H H25 N N N 0 -0.539 5.187 1.619
68 H401 H H26 N N N 0 0.032 3.762 3.545
69 H411 H H27 N N N 0 1.561 1.855 3.255
70 H421 H H28 N N N 0 2.514 1.366 1.038
71 H101 H H29 N N N 0 -3.816 -3.916 0.967
72 H1 H H30 N N N 0 -4.847 -4.449 -0.224
73 H311 H H32 N N N 0 1.881 0.195 -0.777
74 H352 H H33 N N N 0 1.609 3.51 -3.95
75 H351 H H34 N N N 0 2.188 2.494 -5.157
76 H131 H H35 N N N 0 -3.057 0.008 -1.66
77 H281 H H36 N N N 0 6.971 -0.008 -0.807