Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : P5B

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 72


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 -1.235 -0.305 0.927
2 O1 O O1 N N N 0 -0.919 -0.621 2.054
3 N5 N N5 N N N 0 -0.287 -0.125 -0.013
4 C15 C C15 S N N 0 1.126 -0.312 0.326
5 C18 C C18 N N N 0 1.489 -1.793 0.2
6 C19 C C19 N N N 0 0.712 -2.599 1.243
7 C20 C C20 N N N 0 1.981 0.496 -0.615
8 O5 O O5 N N N 0 1.461 1.163 -1.485
9 N6 N N6 N N N 0 3.323 0.478 -0.492
10 C21 C C21 N N N 0 4.153 1.264 -1.407
11 C16 C C16 N Y N 0 6.327 0.05 -1.649
12 C17 C C17 N Y N 0 7.658 -0.132 -1.333
13 C22 C C22 N Y N 0 8.277 0.718 -0.416
14 C23 C C23 N Y N 0 7.544 1.746 0.176
15 C24 C C24 N Y N 0 6.216 1.921 -0.152
16 C25 C C25 N Y N 0 5.606 1.072 -1.058
17 C26 C C26 N N N 0 9.704 0.528 -0.072
18 N1 N N1 N N N 0 10.386 -0.434 -0.627
19 C2 C C2 N N N 0 1.069 -4.058 1.118
20 O2 O O2 N N N 0 1.867 -4.418 0.279
21 N3 N N3 N N N 0 0.502 -4.963 1.94
22 C1 C C1 N N N 0 -3.212 -1.361 -0.134
23 N4 N N4 N N N 0 -3.46 0.111 1.803
24 C5 C C5 R N N 0 -2.689 -0.112 0.578
25 S1 S S1 N N N 0 -3.785 1.654 2.308
26 O4 O O4 N N N 0 -4.508 1.446 3.513
27 O3 O O3 N N N 0 -2.503 2.267 2.292
28 C9 C C9 N N N 0 -4.852 2.303 0.992
29 C8 C C8 N N N 0 -5.245 3.745 1.318
30 N2 N N2 N N N 0 10.312 1.369 0.834
31 C10 C C10 N Y N 0 -6.441 0.626 -3.955
32 C7 C C7 N Y N 0 -7.14 0.079 -2.901
33 C3 C C3 N Y N 0 -6.449 -0.478 -1.829
34 C4 C C4 N Y N 0 -5.042 -0.47 -1.836
35 C11 C C11 N Y N 0 -4.355 0.084 -2.918
36 C6 C C6 N Y N 0 -5.053 0.627 -3.96
37 N7 N N7 N Y N 0 -6.846 -1.085 -0.659
38 C13 C C13 N Y N 0 -5.748 -1.462 0.065
39 C12 C C12 N Y N 0 -4.628 -1.122 -0.592
40 HN5 H HN5 N N N 0 -0.539 0.128 -0.915
41 H15 H H15 N N N 0 1.301 0.019 1.35
42 H181 H 1H18 N N N 0 1.231 -2.147 -0.798
43 H182 H 2H18 N N N 0 2.559 -1.921 0.366
44 H191 H 1H19 N N N 0 0.969 -2.246 2.241
45 H192 H 2H19 N N N 0 -0.358 -2.472 1.077
46 HN6 H HN6 N N N 0 3.738 -0.055 0.204
47 H211 H 1H21 N N N 0 3.979 0.933 -2.431
48 H212 H 2H21 N N N 0 3.895 2.319 -1.317
49 H16 H H16 N N N 0 5.847 -0.608 -2.359
50 H17 H H17 N N N 0 8.22 -0.93 -1.795
51 H23 H H23 N N N 0 8.018 2.408 0.887
52 H24 H H24 N N N 0 5.648 2.718 0.306
53 HN1 H HN1 N N N 0 11.321 -0.558 -0.402
54 HN31 H 1HN3 N N N 0 -0.136 -4.676 2.612
55 HN32 H 2HN3 N N N 0 0.732 -5.902 1.86
56 H11A H 1H1 N N N 0 -2.582 -1.578 -0.997
57 H12 H 2H1 N N N 0 -3.19 -2.207 0.553
58 HN4 H HN4 N N N 0 -3.78 -0.646 2.319
59 H5 H H5 N N N 0 -2.793 0.751 -0.079
60 H91 H 1H9 N N N 0 -5.751 1.69 0.917
61 H92 H 2H9 N N N 0 -4.316 2.278 0.043
62 H81 H 1H8 N N N 0 -5.886 4.135 0.527
63 H82 H 2H8 N N N 0 -5.781 3.77 2.267
64 H83 H 3H8 N N N 0 -4.346 4.358 1.393
65 HN21 H 1HN2 N N N 0 9.805 2.086 1.247
66 HN22 H 2HN2 N N N 0 11.248 1.245 1.059
67 H10 H H10 N N N 0 -6.979 1.058 -4.786
68 H7 H H7 N N N 0 -8.22 0.083 -2.906
69 H11 H H11 N N N 0 -3.275 0.088 -2.929
70 H6 H H6 N N N 0 -4.521 1.059 -4.794
71 HN7 H HN7 N N N 0 -7.767 -1.225 -0.387
72 H13 H H13 N N N 0 -5.777 -1.959 1.023