Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : X5Y

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 77


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 -1.889 1.418 0.304
2 C02 C C2 N N N 0 -5.772 -3.174 0.03
3 C03 C C3 N N N 0 -7.094 -2.464 0.329
4 C04 C C4 N N N 0 -5.79 -4.57 0.657
5 C06 C C5 N N N 0 -4.518 -1.147 0.14
6 C09 C C6 S N N 0 -3.348 0.991 0.129
7 C12 C C7 R N N 0 0.842 0.933 -0.301
8 C13 C C8 N N N 0 1.06 2.374 -0.77
9 C01 C C9 N N N 0 -5.59 -3.297 -1.484
10 C14 C C10 N Y N 0 2.392 2.869 -0.27
11 C15 C C11 N Y N 0 2.505 3.373 1.013
12 C16 C C12 N Y N 0 3.727 3.828 1.472
13 C17 C C13 N Y N 0 4.837 3.777 0.649
14 C18 C C14 N Y N 0 4.724 3.272 -0.633
15 C19 C C15 N Y N 0 3.503 2.814 -1.091
16 C20 C C16 N N N 0 1.856 0.033 -0.958
17 C23 C C17 N N N 0 4.067 -0.988 -1.054
18 C24 C C18 N N N 0 5.363 -0.974 -0.242
19 C25 C C19 N N N 0 6.393 -1.889 -0.909
20 C26 C C20 N Y N 0 7.67 -1.875 -0.109
21 C27 C C21 N Y N 0 7.867 -2.787 0.91
22 C29 C C22 N Y N 0 9.946 -1.914 1.378
23 C30 C C23 N Y N 0 9.823 -0.976 0.371
24 C31 C C24 N Y N 0 8.665 -0.951 -0.391
25 C32 C C25 N N N 0 -4.254 1.932 0.926
26 C33 C C26 N Y N 0 -5.696 1.589 0.657
27 C34 C C27 N Y N 0 -6.346 0.664 1.452
28 C35 C C28 N Y N 0 -7.67 0.349 1.205
29 C36 C C29 N Y N 0 -8.342 0.959 0.163
30 C37 C C30 N Y N 0 -7.692 1.883 -0.633
31 C38 C C31 N Y N 0 -6.371 2.202 -0.382
32 N08 N N1 N N N 0 -3.518 -0.38 0.618
33 N22 N N2 N N N 0 3.081 -0.112 -0.415
34 N28 N N3 N Y N 0 8.982 -2.781 1.614
35 O05 O O1 N N N 0 -4.674 -2.406 0.589
36 O07 O O2 N N N 0 -5.279 -0.701 -0.696
37 O21 O O3 N N N 0 1.57 -0.562 -1.976
38 S11 S S1 N N N 0 -0.829 0.396 -0.756
39 H1 H H1 N N N 0 -1.781 2.465 0.023
40 H2 H H2 N N N 0 -1.595 1.288 1.345
41 H3 H H3 N N N 0 -7.919 -3.041 -0.091
42 H4 H H4 N N N 0 -7.224 -2.377 1.407
43 H5 H H5 N N N 0 -7.082 -1.47 -0.118
44 H6 H H6 N N N 0 -4.848 -5.075 0.444
45 H7 H H7 N N N 0 -5.919 -4.482 1.735
46 H8 H H8 N N N 0 -6.614 -5.146 0.237
47 H9 H H9 N N N 0 -3.616 1.036 -0.927
48 H10 H H10 N N N 0 0.959 0.882 0.781
49 H11 H H11 N N N 0 1.046 2.407 -1.86
50 H12 H H12 N N N 0 0.265 3.008 -0.377
51 H13 H H13 N N N 0 -4.648 -3.803 -1.697
52 H14 H H14 N N N 0 -6.414 -3.874 -1.904
53 H15 H H15 N N N 0 -5.577 -2.303 -1.93
54 H16 H H16 N N N 0 1.638 3.413 1.655
55 H17 H H17 N N N 0 3.815 4.222 2.473
56 H18 H H18 N N N 0 5.791 4.133 1.007
57 H19 H H19 N N N 0 5.591 3.233 -1.276
58 H20 H H20 N N N 0 3.416 2.416 -2.091
59 H21 H H21 N N N 0 4.267 -0.633 -2.065
60 H22 H H22 N N N 0 3.676 -2.005 -1.097
61 H23 H H23 N N N 0 5.754 0.042 -0.199
62 H24 H H24 N N N 0 5.163 -1.329 0.769
63 H25 H H25 N N N 0 6.002 -2.905 -0.952
64 H26 H H26 N N N 0 6.593 -1.534 -1.92
65 H27 H H27 N N N 0 7.098 -3.513 1.133
66 H28 H H28 N N N 0 10.845 -1.94 1.976
67 H29 H H29 N N N 0 10.618 -0.27 0.18
68 H30 H H30 N N N 0 8.54 -0.23 -1.185
69 H31 H H31 N N N 0 -4.046 1.821 1.99
70 H32 H H32 N N N 0 -4.063 2.962 0.623
71 H33 H H33 N N N 0 -5.821 0.188 2.266
72 H34 H H34 N N N 0 -8.178 -0.373 1.827
73 H35 H H35 N N N 0 -9.376 0.712 -0.03
74 H36 H H36 N N N 0 -8.217 2.359 -1.447
75 H37 H H37 N N N 0 -5.862 2.925 -1.004
76 H38 H H38 N N N 0 -2.911 -0.735 1.285
77 H39 H H39 N N N 0 3.31 0.363 0.399