Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BA3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 76


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N9A N N9A N Y N 0 0.101 -0.832 8.629
2 C8A C C8A N Y N 0 1.409 -0.643 8.295
3 N7A N N7A N Y N 0 2.179 -1.248 9.153
4 C5A C C5A N Y N 0 1.416 -1.857 10.092
5 C6A C C6A N Y N 0 1.684 -2.641 11.227
6 N6A N N6A N N N 0 2.986 -2.93 11.596
7 N1A N N1A N Y N 0 0.658 -3.095 11.94
8 C2A C C2A N Y N 0 -0.587 -2.824 11.595
9 N3A N N3A N Y N 0 -0.885 -2.098 10.538
10 C4A C C4A N Y N 0 0.073 -1.602 9.764
11 O5B O O5B N N N 0 -1.022 0.514 3.733
12 C5B C C5B N N N 0 -1.222 1.501 4.747
13 C4B C C4B R N N 0 -1.722 0.825 6.025
14 O4B O O4B N N N 0 -0.742 -0.115 6.513
15 C3B C C3B S N N 0 -1.873 1.862 7.16
16 O3B O O3B N N N 0 -3.234 2.282 7.278
17 C2B C C2B R N N 0 -1.429 1.097 8.43
18 O2B O O2B N N N 0 -2.503 1.023 9.37
19 C1B C C1B R N N 0 -1.061 -0.309 7.908
20 PE P PE R N N 0 -0.498 1.291 2.424
21 O1E O O1E N N N 0 -1.513 2.281 1.999
22 O2E O O2E N N N 0 0.88 2.048 2.764
23 O3E O O3E N N N 0 -0.25 0.233 1.235
24 PF P PF N N N 0 0.268 1.074 -0.035
25 O1F O O1F N N N 0 1.524 1.774 0.316
26 O2F O O2F N N N 0 -0.848 2.155 -0.455
27 O3F O O3F N N N 0 0.537 0.074 -1.267
28 PG P PG R N N 0 1.051 0.977 -2.496
29 O1G O O1G N N N 0 2.295 1.679 -2.107
30 O2G O O2G N N N 0 -0.078 2.06 -2.876
31 O5D O O5D N N N 0 1.341 0.036 -3.77
32 C5D C C5D N N N 0 1.791 0.892 -4.822
33 C4D C C4D R N N 0 2.087 0.055 -6.068
34 O4D O O4D N N N 0 0.886 -0.597 -6.514
35 C3D C C3D S N N 0 2.566 0.97 -7.212
36 O3D O O3D N N N 0 3.881 0.606 -7.635
37 C2D C C2D R N N 0 1.541 0.719 -8.349
38 O2D O O2D N N N 0 2.194 0.65 -9.618
39 C1D C C1D R N N 0 0.949 -0.657 -7.955
40 N9G N N9G N Y N 0 -0.389 -0.829 -8.524
41 C8G C C8G N Y N 0 -1.56 -0.401 -7.972
42 N7G N N7G N Y N 0 -2.558 -0.721 -8.744
43 C5G C C5G N Y N 0 -2.092 -1.372 -9.837
44 C6G C C6G N Y N 0 -2.685 -1.938 -10.978
45 N6G N N6G N N N 0 -4.057 -1.892 -11.159
46 N1G N N1G N Y N 0 -1.899 -2.517 -11.879
47 C2G C C2G N Y N 0 -0.59 -2.565 -11.715
48 N3G N N3G N Y N 0 0.008 -2.049 -10.663
49 C4G C C4G N Y N 0 -0.694 -1.445 -9.711
50 H8A H H8A N N N 0 1.756 -0.076 7.444
51 H6A1 H 1H6A N N N 0 3.158 -3.469 12.384
52 H6A2 H 2H6A N N N 0 3.726 -2.597 11.065
53 H2A H H2A N N N 0 -1.39 -3.213 12.203
54 H5B1 H 1H5B N N N 0 -0.28 2.01 4.949
55 H5B2 H 2H5B N N N 0 -1.961 2.226 4.406
56 H4B H H4B N N N 0 -2.672 0.323 5.841
57 H3B H H3B N N N 0 -1.223 2.719 6.984
58 H3 H H3 N N N 0 -3.266 2.926 7.999
59 H2B H H2B N N N 0 -0.56 1.576 8.88
60 H2 H H2 N N N 0 -2.726 1.933 9.611
61 H1B H H1B N N N 0 -1.908 -0.987 8.013
62 H2E H H2E N N N 0 1.512 1.369 3.036
63 H2F H H2F N N N 0 -1.648 1.659 -0.676
64 H2G H H2G N N N 0 -0.87 1.562 -3.122
65 H5D1 H 1H5D N N N 0 1.017 1.624 -5.051
66 H5D2 H 2H5D N N N 0 2.698 1.408 -4.507
67 H4D H H4D N N N 0 2.852 -0.687 -5.843
68 H3D H H3D N N N 0 2.542 2.014 -6.9
69 H4 H H4 N N N 0 4.099 1.172 -8.389
70 H1 H H1 N N N 0 0.767 1.488 -8.354
71 H2D H H2D N N N 0 2.538 1.534 -9.804
72 H6G2 H 2H6G N N N 0 -4.62 -1.466 -10.494
73 H1D H H1D N N N 0 1.608 -1.464 -8.277
74 H8G H H8G N N N 0 -1.647 0.124 -7.033
75 H6G1 H 1H6G N N N 0 -4.455 -2.286 -11.951
76 H5 H H5 N N N 0 0.011 -3.047 -12.472