Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : D58

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


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 -3.464 -2.187 2.059
2 C2 C C2 R N N 0 -3.977 -2.01 0.629
3 C3 C C3 N N N 0 -5.98 -1.838 -0.724
4 C7 C C4 N Y N 0 -1.232 0.415 0.04
5 C8 C C5 N Y N 0 -1.219 2.727 0.113
6 C9 C C6 N Y N 0 0.171 2.771 0.09
7 C10 C C7 N N N 0 0.879 4.061 0.119
8 C11 C C8 N Y N 0 0.897 1.554 0.033
9 C12 C C9 N Y N 0 2.366 -0.503 -0.049
10 C13 C C10 N Y N 0 1.066 -0.798 -0.034
11 C14 C C11 N Y N 0 0.186 0.352 0.013
12 C15 C C12 N Y N 0 3.45 -1.507 -0.093
13 C16 C C13 N Y N 0 4.785 -1.098 -0.105
14 C19 C C14 N Y N 0 4.161 -3.801 -0.156
15 C20 C C15 N Y N 0 3.144 -2.869 -0.116
16 N1 N N1 N N N 0 -5.445 -1.966 0.637
17 C4 C C16 N N N 0 -5.493 -0.527 -1.344
18 C5 C C17 N N N 0 -3.962 -0.521 -1.375
19 C6 C C18 S N N 0 -3.43 -0.703 0.049
20 N2 N N2 N N N 0 -1.966 -0.756 0.021
21 N3 N N3 N Y N 0 -1.86 1.575 0.088
22 O1 O O1 N N N 0 2.095 4.089 0.098
23 N4 N N4 N N N 0 0.179 5.212 0.168
24 S1 S S1 N Y N 0 2.622 1.231 -0.009
25 C17 C C19 N Y N 0 5.792 -2.04 -0.145
26 C18 C C20 N Y N 0 5.481 -3.388 -0.174
27 H1 H H1 N N N 0 -3.853 -3.118 2.472
28 H2 H H2 N N N 0 -2.375 -2.219 2.053
29 H3 H H3 N N N 0 -3.799 -1.35 2.672
30 H4 H H4 N N N 0 -3.642 -2.847 0.017
31 H5 H H5 N N N 0 -5.636 -2.677 -1.33
32 H6 H H6 N N N 0 -7.07 -1.84 -0.688
33 H7 H H7 N N N 0 -1.78 3.649 0.157
34 H8 H H8 N N N 0 0.699 -1.814 -0.054
35 H9 H H9 N N N 0 5.028 -0.046 -0.083
36 H10 H H10 N N N 0 3.925 -4.854 -0.179
37 H11 H H11 N N N 0 2.114 -3.192 -0.102
38 H12 H H12 N N N 0 -5.781 -1.221 1.23
39 H14 H H14 N N N 0 -5.878 -0.44 -2.36
40 H15 H H15 N N N 0 -5.849 0.313 -0.747
41 H16 H H16 N N N 0 -3.607 -1.337 -2.004
42 H17 H H17 N N N 0 -3.609 0.43 -1.776
43 H18 H H18 N N N 0 -3.753 0.133 0.669
44 H19 H H19 N N N 0 -1.512 -1.613 -0.01
45 H20 H H20 N N N 0 0.646 6.062 0.187
46 H23 H H23 N N N 0 6.273 -4.122 -0.205
47 H21 H H21 N N N 0 -0.79 5.19 0.185
48 H22 H H22 N N N 0 6.824 -1.725 -0.155