Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DE6

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 98


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 R N N 0 3.654 3.451 -0.785
2 C15 C C2 N N N 0 2.205 3.488 -1.277
3 C17 C C3 N N N 0 -0.063 3.093 -0.308
4 C20 C C4 N N N 0 -2.499 2.123 -0.54
5 C22 C C5 S N N 0 -3.727 1.351 -0.949
6 C24 C C6 N N N 0 -6.225 1.377 -1.002
7 C26 C C7 N N N 0 -8.723 1.402 -1.055
8 C01 C C8 N Y N 0 3.427 -5.586 0.309
9 C02 C C9 N Y N 0 3.296 -4.474 -0.501
10 C03 C C10 N N N 0 4.466 -3.544 -0.699
11 C05 C C11 N N N 0 4.9 -1.208 -0.267
12 C06 C C12 S N N 0 4.738 0.051 0.544
13 C07 C C13 N N N 0 3.491 -0.062 1.423
14 C09 C C14 N N N 0 3.853 2.244 0.096
15 C12 C C15 N N N 0 5.235 5.122 0.086
16 C16 C C16 N N N 0 1.276 3.804 -0.102
17 C18 C C17 N N N 0 -1.179 4.132 -0.423
18 C23 C C18 N N N 0 -4.979 2.095 -0.479
19 C29 C C20 N N N 0 -3.028 -0.959 -1.013
20 C25 C C19 N N N 0 -7.477 2.12 -0.533
21 C31 C C21 S N N 0 -2.944 -2.343 -0.423
22 C32 C C22 N N N 0 -2.244 -2.281 0.936
23 C33 C C23 N N N 0 -2.97 -1.281 1.839
24 C34 C C24 N N N 0 -2.372 -1.337 3.246
25 C35 C C25 N N N 0 -3.099 -0.337 4.148
26 C38 C C26 N N N 0 -1.13 -3.887 -0.772
27 C40 C C27 N N N 0 -0.289 -4.787 -1.64
28 C41 C C28 N Y N 0 1.021 -5.069 -0.952
29 C42 C C29 N Y N 0 2.094 -4.215 -1.132
30 C43 C C30 N Y N 0 1.151 -6.18 -0.14
31 C44 C C31 N Y N 0 2.354 -6.439 0.49
32 N04 N N1 N N N 0 4.267 -2.343 0.137
33 N08 N N2 N N N 0 4.59 1.197 -0.382
34 N11 N N3 N N N 0 3.942 4.666 -0.02
35 N13 N N4 N N N 0 5.505 6.263 0.804
36 N14 N N5 N N N 0 6.204 4.471 -0.494
37 N19 N N6 N N N 0 -2.418 3.449 -0.86
38 N27 N N7 N N N 0 -9.925 2.116 -0.605
39 N28 N N8 N N N 0 -3.681 0.015 -0.322
40 N36 N N9 N N N 0 -2.524 -0.39 5.499
41 N37 N N10 N N N 0 -2.165 -3.203 -1.344
42 O21 O O1 N N N 0 -1.598 1.577 0.062
43 O30 O O2 N N N 0 -2.522 -0.717 -2.088
44 O39 O O3 N N N 0 -0.893 -3.773 0.412
45 O45 O O4 N N N 0 3.37 2.203 1.207
46 O46 O O5 N N N 0 5.587 -1.211 -1.267
47 H1 H H1 N N N 0 4.326 3.391 -1.64
48 H2 H H2 N N N 0 2.101 4.259 -2.04
49 H3 H H3 N N N 0 1.94 2.52 -1.7
50 H4 H H4 N N N 0 -0.023 2.5 -1.222
51 H5 H H5 N N N 0 -0.261 2.439 0.541
52 H6 H H6 N N N 0 -3.749 1.247 -2.033
53 H7 H H7 N N N 0 -6.202 1.355 -2.092
54 H8 H H8 N N N 0 -6.243 0.356 -0.619
55 H9 H H9 N N N 0 -8.7 1.38 -2.145
56 H10 H H10 N N N 0 -8.741 0.381 -0.672
57 H11 H H11 N N N 0 4.366 -5.788 0.802
58 H12 H H12 N N N 0 5.386 -4.047 -0.402
59 H13 H H13 N N N 0 4.528 -3.253 -1.747
60 H14 H H14 N N N 0 5.616 0.2 1.172
61 H15 H H15 N N N 0 3.446 -1.058 1.864
62 H16 H H16 N N N 0 3.536 0.684 2.216
63 H17 H H17 N N N 0 2.601 0.106 0.816
64 H18 H H18 N N N 0 1.733 3.458 0.825
65 H19 H H19 N N N 0 1.112 4.88 -0.048
66 H23 H H23 N N N 0 -4.961 3.115 -0.863
67 H20 H H20 N N N 0 -1.344 4.602 0.547
68 H21 H H21 N N N 0 -0.901 4.889 -1.156
69 H22 H H22 N N N 0 -5.002 2.116 0.61
70 H24 H H24 N N N 0 -7.5 2.141 0.557
71 H25 H H25 N N N 0 -7.458 3.14 -0.916
72 H26 H H26 N N N 0 -3.947 -2.751 -0.302
73 H27 H H27 N N N 0 -2.26 -3.267 1.399
74 H28 H H28 N N N 0 -1.211 -1.961 0.798
75 H29 H H29 N N N 0 -2.855 -0.276 1.434
76 H30 H H30 N N N 0 -4.029 -1.536 1.884
77 H31 H H31 N N N 0 -2.487 -2.342 3.651
78 H32 H H32 N N N 0 -1.313 -1.082 3.201
79 H33 H H33 N N N 0 -2.983 0.668 3.743
80 H34 H H34 N N N 0 -4.157 -0.591 4.193
81 H35 H H35 N N N 0 -0.818 -5.724 -1.811
82 H36 H H36 N N N 0 -0.1 -4.297 -2.595
83 H37 H H37 N N N 0 1.992 -3.347 -1.765
84 H38 H H38 N N N 0 0.313 -6.846 0.001
85 H39 H H39 N N N 0 2.455 -7.308 1.123
86 H40 H H40 N N N 0 3.712 -2.362 0.932
87 H41 H H41 N N N 0 4.988 1.204 -1.266
88 H42 H H42 N N N 0 3.22 5.15 0.412
89 H43 H H43 N N N 0 4.784 6.747 1.235
90 H44 H H44 N N N 0 6.417 6.584 0.878
91 H45 H H45 N N N 0 7.116 4.793 -0.419
92 H50 H H50 N N N 0 -4.095 -0.159 0.538
93 H46 H H46 N N N 0 -3.124 3.91 -1.341
94 H47 H H47 N N N 0 -10.762 1.66 -0.937
95 H48 H H48 N N N 0 -9.937 2.205 0.4
96 H51 H H51 N N N 0 -1.53 -0.221 5.476
97 H52 H H52 N N N 0 -2.988 0.262 6.115
98 H54 H H54 N N N 0 -2.375 -3.275 -2.288