Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 5PI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 82


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C14 C C14 N N N 0 -0.048 0.072 0.145
2 O1 O O1 N N N 0 0.581 1.106 0.069
3 N5 N N5 N N N 0 -0.317 -0.636 -0.968
4 C15 C C15 S N N 0 0.15 -0.158 -2.271
5 C18 C C18 N N N 0 1.541 -0.727 -2.554
6 C19 C C19 N N N 0 2.511 -0.267 -1.464
7 C20 C C20 N N N 0 -0.805 -0.611 -3.345
8 O5 O O5 N N N 0 -1.781 -1.269 -3.05
9 N6 N N6 N N N 0 -0.575 -0.286 -4.632
10 C21 C C21 N N N 0 -1.504 -0.727 -5.676
11 C16 C C16 N Y N 0 -0.167 -1.018 -7.771
12 C17 C C17 N Y N 0 0.276 -0.573 -8.999
13 C22 C C22 N Y N 0 -0.139 0.667 -9.481
14 C23 C C23 N Y N 0 -1.002 1.452 -8.716
15 C24 C C24 N Y N 0 -1.444 0.994 -7.491
16 C25 C C25 N Y N 0 -1.023 -0.235 -7.017
17 C26 C C26 N N N 0 0.333 1.15 -10.798
18 N1 N N1 N N N 0 -0.079 2.377 -11.271
19 C2 C C2 N N N 0 3.882 -0.828 -1.742
20 O2 O O2 N N N 0 4.065 -1.527 -2.716
21 N3 N N3 N N N 0 4.905 -0.553 -0.908
22 C1 C C1 N N N 0 0.536 -1.32 2.111
23 N4 N N4 N N N 0 -0.777 0.726 2.366
24 C5 C C5 R N N 0 -0.529 -0.418 1.486
25 S1 S S1 N N N 0 -2.291 0.981 2.986
26 O4 O O4 N N N 0 -2.098 2.102 3.837
27 O3 O O3 N N N 0 -3.102 1.048 1.821
28 C9 C C9 N N N 0 -2.609 -0.531 3.936
29 C8 C C8 N N N 0 -3.994 -0.446 4.581
30 N2 N N2 N N N 0 1.14 0.416 -11.51
31 C13 C C13 N Y N 0 0.314 -0.458 7.428
32 C12 C C12 N Y N 0 -0.325 -1.615 7.044
33 C3 C C3 N Y N 0 -0.358 -1.979 5.703
34 C4 C C4 N Y N 0 0.266 -1.159 4.746
35 C27 C C27 N Y N 0 0.908 0.014 5.146
36 C6 C C6 N Y N 0 0.934 0.356 6.484
37 N7 N N7 N Y N 0 -0.904 -3.049 5.025
38 C29 C C29 N Y N 0 -0.647 -2.931 3.687
39 C28 C C28 N Y N 0 0.055 -1.812 3.452
40 O6 O O6 N N N 0 1.562 1.495 6.88
41 C7 C C7 N N N 0 1.413 1.577 8.299
42 C10 C C10 N N N 0 2.101 2.844 8.811
43 C11 C C11 N N N 0 1.942 2.931 10.331
44 HN5 H HN5 N N N 0 -0.821 -1.463 -0.906
45 H15 H H15 N N N 0 0.197 0.93 -2.263
46 H181 H 1H18 N N N 0 1.494 -1.816 -2.562
47 H182 H 2H18 N N N 0 1.889 -0.372 -3.524
48 H191 H 1H19 N N N 0 2.559 0.821 -1.456
49 H192 H 2H19 N N N 0 2.163 -0.623 -0.494
50 HN6 H HN6 N N N 0 0.204 0.239 -4.868
51 H211 H 1H21 N N N 0 -1.552 -1.816 -5.684
52 H212 H 2H21 N N N 0 -2.496 -0.321 -5.475
53 H16 H H16 N N N 0 0.154 -1.978 -7.397
54 H17 H H17 N N N 0 0.945 -1.185 -9.587
55 H23 H H23 N N N 0 -1.328 2.413 -9.083
56 H24 H H24 N N N 0 -2.112 1.6 -6.899
57 HN11 H 1HN1 N N N 0 0.23 2.694 -12.134
58 HN12 H 2HN1 N N N 0 -0.679 2.924 -10.741
59 HN31 H 1HN3 N N N 0 5.787 -0.914 -1.087
60 HN32 H 2HN3 N N N 0 4.758 0.005 -0.129
61 H11 H 1H1 N N N 0 1.459 -0.756 2.241
62 H12A H 2H1 N N N 0 0.72 -2.172 1.457
63 HN4 H HN4 N N N 0 -0.054 1.334 2.585
64 H5 H H5 N N N 0 -1.452 -0.983 1.356
65 H91 H 1H9 N N N 0 -2.571 -1.393 3.27
66 H92 H 2H9 N N N 0 -1.852 -0.638 4.713
67 H81 H 1H8 N N N 0 -4.185 -1.355 5.151
68 H82 H 2H8 N N N 0 -4.032 0.415 5.247
69 H83 H 3H8 N N N 0 -4.751 -0.339 3.804
70 HN2 H HN2 N N N 0 1.45 0.733 -12.373
71 H13 H H13 N N N 0 0.337 -0.18 8.471
72 H12 H H12 N N N 0 -0.802 -2.239 7.785
73 H27 H H27 N N N 0 1.384 0.649 4.414
74 HN7 H HN7 N N N 0 -1.398 -3.776 5.436
75 H29 H H29 N N N 0 -0.964 -3.634 2.931
76 H71 H 1H7 N N N 0 1.87 0.702 8.763
77 H72 H 2H7 N N N 0 0.354 1.611 8.552
78 H101 H 1H10 N N N 0 1.645 3.718 8.347
79 H102 H 2H10 N N N 0 3.161 2.809 8.558
80 H111 H 1H11 N N N 0 2.432 3.834 10.696
81 H112 H 2H11 N N N 0 0.883 2.965 10.584
82 H113 H 3H11 N N N 0 2.399 2.057 10.794