Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 3BL

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 69


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 -1.158 -0.163 1.431
2 O1 O O1 N N N 0 5.192 2.19 2.002
3 C2 C C2 N Y N 0 -1.473 0.413 0.198
4 C3 C C3 N Y N 0 -2.788 0.511 -0.199
5 C4 C C4 N Y N 0 -3.805 0.035 0.629
6 C5 C C5 N Y N 0 -5.22 0.142 0.201
7 C6 C C6 N Y N 0 -5.537 0.712 -1.031
8 C24 C C7 N N N 0 5.071 2.641 0.888
9 C23 C C8 S N N 0 3.879 2.263 0.048
10 C25 C C9 N N N 0 3.086 3.522 -0.31
11 C26 C C10 N Y N 0 1.966 3.16 -1.25
12 N3 N N1 N Y N 0 0.67 2.883 -0.907
13 C28 C C11 N Y N 0 0.004 2.611 -2.05
14 N2 N N2 N Y N 0 0.834 2.712 -3.052
15 C27 C C12 N Y N 0 2.046 3.054 -2.59
16 N1 N N3 N N N 0 3.019 1.341 0.803
17 C22 C C13 N N N 0 3.481 -0.046 0.66
18 C21 C C14 S N N 0 2.563 -0.974 1.459
19 C20 C C15 N N N 0 2.965 -2.431 1.212
20 C19 C C16 R N N 0 2.719 -2.784 -0.257
21 C18 C C17 N N N 0 3.15 -4.232 -0.505
22 C17 C C18 N N N 0 2.902 -4.596 -1.97
23 C16 C C19 N N N 0 1.412 -4.45 -2.284
24 C15 C C20 N N N 0 0.981 -3.002 -2.041
25 C14 C C21 S N N 0 1.23 -2.633 -0.576
26 C13 C C22 N N N 0 0.806 -1.178 -0.346
27 N N N4 N N N 0 1.173 -0.788 1.021
28 C C C23 N N N 0 0.252 -0.269 1.858
29 O O O2 N N N 0 0.583 0.112 2.964
30 C12 C C24 N Y N 0 -2.177 -0.635 2.262
31 C11 C C25 N Y N 0 -3.49 -0.541 1.86
32 C10 C C26 N Y N 0 -6.239 -0.333 1.026
33 C9 C C27 N Y N 0 -7.554 -0.231 0.621
34 C8 C C28 N Y N 0 -7.863 0.34 -0.6
35 C7 C C29 N Y N 0 -6.856 0.808 -1.425
36 H1 H H1 N N N 0 -0.687 0.783 -0.443
37 H2 H H2 N N N 0 -3.032 0.957 -1.152
38 H3 H H3 N N N 0 -4.752 1.078 -1.676
39 H4 H H4 N N N 0 5.817 3.316 0.495
40 H5 H H5 N N N 0 4.219 1.776 -0.866
41 H6 H H6 N N N 0 2.672 3.96 0.598
42 H7 H H7 N N N 0 3.747 4.242 -0.792
43 H8 H H8 N N N 0 0.3 2.881 -0.011
44 H9 H H9 N N N 0 -1.042 2.352 -2.122
45 H11 H H11 N N N 0 2.932 3.21 -3.188
46 H12 H H12 N N N 0 2.97 1.608 1.775
47 H14 H H14 N N N 0 3.458 -0.33 -0.392
48 H15 H H15 N N N 0 4.5 -0.13 1.037
49 H16 H H16 N N N 0 2.648 -0.746 2.522
50 H17 H H17 N N N 0 4.022 -2.561 1.445
51 H18 H H18 N N N 0 2.37 -3.085 1.849
52 H19 H H19 N N N 0 3.299 -2.117 -0.894
53 H20 H H20 N N N 0 4.211 -4.338 -0.279
54 H21 H H21 N N N 0 2.574 -4.898 0.138
55 H22 H H22 N N N 0 3.477 -3.929 -2.613
56 H23 H H23 N N N 0 3.211 -5.626 -2.145
57 H24 H H24 N N N 0 1.233 -4.711 -3.327
58 H25 H H25 N N N 0 0.837 -5.114 -1.639
59 H26 H H26 N N N 0 1.557 -2.338 -2.685
60 H27 H H27 N N N 0 -0.08 -2.896 -2.266
61 H28 H H28 N N N 0 0.649 -3.292 0.069
62 H29 H H29 N N N 0 1.318 -0.532 -1.06
63 H30 H H30 N N N 0 -0.272 -1.087 -0.478
64 H31 H H31 N N N 0 -1.934 -1.081 3.215
65 H32 H H32 N N N 0 -4.278 -0.909 2.501
66 H33 H H33 N N N 0 -5.998 -0.779 1.979
67 H34 H H34 N N N 0 -8.344 -0.599 1.26
68 H35 H H35 N N N 0 -8.894 0.416 -0.913
69 H36 H H36 N N N 0 -7.103 1.249 -2.379