Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 3W5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 65


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 3.016 1.047 -1.111
2 C2 C C2 N Y N 0 1.93 1.895 -1.085
3 C3 C C3 N Y N 0 1.609 2.579 0.08
4 C4 C C4 N Y N 0 2.379 2.411 1.223
5 C5 C C5 N Y N 0 3.467 1.565 1.205
6 C6 C C6 N Y N 0 3.793 0.875 0.036
7 C7 C C7 N N N 0 4.922 -0.005 0.013
8 C8 C C8 N N N 0 5.847 -0.728 -0.005
9 C9 C C9 S N N 0 7.008 -1.633 -0.028
10 C10 C C10 N N N 0 7.681 -1.639 1.347
11 N1 N N1 N N N 0 9.07 -1.178 1.212
12 C11 C C11 N N N 0 9.844 -2.079 0.347
13 C12 C C12 N N N 0 9.231 -2.086 -1.057
14 C13 C C13 N N N 0 8.019 -1.146 -1.073
15 C14 C C14 N N N 0 8.487 0.262 -0.682
16 C15 C C15 N N N 0 9.121 0.203 0.711
17 O1 O O1 N N N 0 6.577 -2.956 -0.356
18 O2 O O2 N N N 0 0.538 3.415 0.101
19 C16 C C16 N Y N 0 -0.699 2.869 -0.017
20 C21 C C21 N Y N 0 -1.812 3.693 -0.134
21 C20 C C20 N Y N 0 -3.069 3.143 -0.253
22 C19 C C19 N Y N 0 -3.224 1.754 -0.257
23 C18 C C18 N Y N 0 -2.102 0.929 -0.14
24 C17 C C17 N Y N 0 -0.848 1.487 -0.026
25 C22 C C22 N N N 0 -4.569 1.161 -0.384
26 O3 O O3 N N N 0 -5.544 1.88 -0.486
27 N2 N N2 N N N 0 -4.717 -0.179 -0.388
28 C23 C C23 S N N 0 -6.052 -0.769 -0.514
29 C24 C C24 N N N 0 -5.933 -2.172 -1.102
30 C25 C C25 N N N 0 -7.308 -2.716 -1.479
31 C26 C C26 N N N 0 -8.117 -3.014 -0.215
32 S1 S S1 N N N 0 -8.406 -1.461 0.682
33 O5 O O5 N N N 0 -9.131 -0.577 -0.161
34 O4 O O4 N N N 0 -8.919 -1.769 1.971
35 C27 C C27 N N N 0 -6.711 -0.834 0.866
36 H1 H H1 N N N 0 3.263 0.512 -2.016
37 H2 H H2 N N N 0 1.329 2.029 -1.973
38 H4 H H4 N N N 0 2.126 2.945 2.127
39 H5 H H5 N N N 0 4.067 1.436 2.094
40 H101 H H101 N N N 0 7.141 -0.974 2.02
41 H102 H H102 N N N 0 7.673 -2.651 1.752
42 H13 H H13 N N N 0 7.563 -1.14 -2.063
43 HA H HA N N N 0 5.938 -3.327 0.268
44 H111 H H111 N N N 0 10.876 -1.733 0.292
45 H112 H H112 N N N 0 9.82 -3.088 0.759
46 H151 H H151 N N N 0 8.57 0.856 1.389
47 H152 H H152 N N N 0 10.159 0.53 0.653
48 H121 H H121 N N N 0 9.971 -1.742 -1.78
49 H122 H H122 N N N 0 8.912 -3.097 -1.311
50 H141 H H141 N N N 0 9.224 0.616 -1.403
51 H142 H H142 N N N 0 7.634 0.939 -0.666
52 H17 H H17 N N N 0 0.02 0.85 0.061
53 H21 H H21 N N N 0 -1.691 4.766 -0.131
54 H18 H H18 N N N 0 -2.218 -0.145 -0.142
55 H20 H H20 N N N 0 -3.933 3.784 -0.343
56 HB H HB N N N 0 -3.939 -0.753 -0.307
57 H23 H H23 N N N 0 -6.66 -0.15 -1.174
58 H241 H H241 N N N 0 -5.304 -2.136 -1.992
59 H242 H H242 N N N 0 -5.475 -2.832 -0.366
60 H271 H H271 N N N 0 -6.142 -1.504 1.51
61 H272 H H272 N N N 0 -6.736 0.163 1.306
62 H251 H H251 N N N 0 -7.836 -1.977 -2.081
63 H252 H H252 N N N 0 -7.188 -3.632 -2.057
64 H261 H H261 N N N 0 -9.073 -3.46 -0.49
65 H262 H H262 N N N 0 -7.56 -3.703 0.42