Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JUB

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 90


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C32 C C1 N Y N 0 -4.404 -7.27 1.435
2 C33 C C2 N Y N 0 -3.171 -7.091 0.836
3 C38 C C3 N Y N 0 -3.668 3.031 -0.093
4 C37 C C4 N N N 0 -3.661 -0.125 -0.067
5 C35 C C5 N N N 0 -4.498 -2.468 0.14
6 C39 C C6 N Y N 0 -3.239 3.383 1.185
7 C34 C C7 N Y N 0 -2.995 -6.084 -0.095
8 C24 C C8 N N N 0 -2.283 0.436 -2.075
9 C10 C C9 N Y N 0 5.82 0.325 -0.077
10 C30 C C10 N Y N 0 -5.284 -5.436 0.172
11 C29 C C11 N Y N 0 -4.051 -5.256 -0.427
12 C31 C C12 N Y N 0 -5.462 -6.446 1.099
13 C26 C C13 N N N 0 -3.122 -1.894 -1.744
14 C04 C C14 N N N 0 -0.426 1.501 -0.713
15 C05 C C15 N N N 0 0.712 1.704 -1.716
16 C07 C C16 N N N 0 2.171 0.231 -0.511
17 C08 C C17 N N N 0 3.506 0.124 0.229
18 C22 C C18 N N N 0 4.432 1.818 -1.23
19 C23 C C19 N N N 0 3.089 1.91 -1.958
20 C25 C C20 S N N 0 -2.596 -0.643 -1.037
21 C28 C C21 N N N 0 -3.857 -4.155 -1.437
22 C36 C C22 N N N 0 -4.024 -1.239 0.919
23 C40 C C23 N Y N 0 -4.1 3.383 2.239
24 C41 C C24 N Y N 0 -5.443 3.022 2.04
25 C42 C C25 N Y N 0 -6.361 3.01 3.103
26 C43 C C26 N Y N 0 -7.655 2.655 2.872
27 C44 C C27 N Y N 0 -8.085 2.302 1.594
28 C45 C C28 N Y N 0 -7.224 2.302 0.54
29 C46 C C29 N Y N 0 -5.88 2.663 0.74
30 C47 C C30 N Y N 0 -4.962 2.676 -0.324
31 N03 N N1 N N N 0 -1.712 1.608 -1.405
32 N06 N N2 N N N 1 2.002 1.598 -1.021
33 N09 N N3 N N N 0 4.602 0.461 -0.692
34 N27 N N4 N N N 1 -3.426 -2.93 -0.75
35 O01 O O1 N N N 0 -3.296 3.057 -2.622
36 O48 O O2 N N N 0 -1.564 4.055 -1.122
37 S02 S S1 N N N 0 -2.522 3.052 -1.431
38 H1 H H1 N N N 0 -4.542 -8.056 2.162
39 H2 H H2 N N N 0 -2.346 -7.737 1.095
40 H3 H H3 N N N 0 -3.27 0.733 0.48
41 H4 H H4 N N N 0 -4.55 0.172 -0.624
42 H5 H H5 N N N 0 -4.757 -3.263 0.84
43 H6 H H6 N N N 0 -2.207 3.661 1.341
44 H7 H H7 N N N 0 -2.031 -5.944 -0.563
45 H8 H H8 N N N 0 -1.566 0.047 -2.799
46 H9 H H9 N N N 0 -3.2 0.723 -2.59
47 H13 H H13 N N N 0 -6.11 -4.792 -0.091
48 H14 H H14 N N N 0 -6.425 -6.586 1.566
49 H15 H H15 N N N 0 -4.028 -1.645 -2.296
50 H16 H H16 N N N 0 -2.366 -2.265 -2.435
51 H17 H H17 N N N 0 -0.338 0.514 -0.259
52 H18 H H18 N N N 0 -0.366 2.265 0.063
53 H19 H H19 N N N 0 0.652 0.941 -2.491
54 H20 H H20 N N N 0 0.624 2.691 -2.17
55 H21 H H21 N N N 0 2.16 -0.472 -1.343
56 H22 H H22 N N N 0 1.357 -0.005 0.174
57 H23 H H23 N N N 0 3.513 0.817 1.07
58 H24 H H24 N N N 0 3.639 -0.894 0.596
59 H25 H H25 N N N 0 5.24 2.035 -1.929
60 H26 H H26 N N N 0 4.454 2.539 -0.413
61 H27 H H27 N N N 0 2.955 2.92 -2.346
62 H28 H H28 N N N 0 3.073 1.199 -2.783
63 H29 H H29 N N N 0 -1.69 -0.89 -0.484
64 H30 H H30 N N N 0 -3.096 -4.453 -2.158
65 H31 H H31 N N N 0 -4.797 -3.969 -1.957
66 H32 H H32 N N N 0 -3.148 -1.5 1.513
67 H33 H H33 N N N 0 -3.752 3.658 3.224
68 H34 H H34 N N N 0 -6.043 3.28 4.099
69 H35 H H35 N N N 0 -8.359 2.647 3.691
70 H36 H H36 N N N 0 -9.116 2.024 1.438
71 H37 H H37 N N N 0 -7.571 2.026 -0.444
72 H38 H H38 N N N 0 -5.281 2.405 -1.319
73 C1 C C31 N Y N 0 6.151 1.131 1.005
74 C2 C C32 N Y N 0 7.358 1.036 1.657
75 C3 C C33 N Y N 0 8.346 0.112 1.272
76 C4 C C34 N Y N 0 8.084 -0.783 0.139
77 C5 C C35 N Y N 0 6.776 -0.674 -0.552
78 N2 N N5 N Y N 0 6.864 -1.583 -1.483
79 O1 O O3 N Y N 0 7.948 -2.128 -1.404
80 N1 N N6 N Y N 0 8.682 -1.735 -0.518
81 N3 N N7 N N N 1 9.5 0.049 1.925
82 O2 O O4 N N N 0 9.744 0.918 3.017
83 O3 O O5 N N N 0 10.35 -0.754 1.586
84 H10 H H10 N N N 0 5.433 1.862 1.347
85 H11 H H11 N N N 0 7.555 1.694 2.491
86 H12 H H12 N N N 0 10.611 0.798 3.429
87 H39 H H39 N N N 0 2.024 2.249 -0.251
88 H40 H H40 N N N 0 -5.374 -2.206 -0.453
89 H41 H H41 N N N 0 -4.822 -0.896 1.578
90 H42 H H42 N N N 0 -2.599 -3.125 -0.205