Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : Y97

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 69


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N N N 0 -1.153 1.385 -2.719
2 C02 C C2 R N N 0 -1.146 1.021 -1.233
3 C04 C C3 N N N 0 -3.273 1.854 -0.385
4 C06 C C4 N Y N 0 -5.397 2.698 0.605
5 C07 C C5 N N N 0 -4.779 4.069 0.703
6 C08 C C6 N Y N 0 -6.693 2.493 1.034
7 C09 C C7 N Y N 0 -7.267 1.239 0.941
8 C10 C C8 N Y N 0 -6.542 0.175 0.415
9 C12 C C9 N N N 0 -8.502 -1.297 0.783
10 C13 C C10 N N N 0 -9.504 -1.584 -0.344
11 C15 C C11 N N N 0 -8.816 -2.742 1.196
12 C16 C C12 N Y N 0 -5.24 0.371 -0.019
13 O17 O O1 N N N 0 -2.809 2.977 -0.409
14 C18 C C13 N Y N 0 -0.346 -0.24 -1.029
15 C19 C C14 N Y N 0 -0.917 -1.47 -1.299
16 C20 C C15 N Y N 0 -0.19 -2.633 -1.113
17 C21 C C16 N Y N 0 1.111 -2.571 -0.657
18 C22 C C17 N Y N 0 1.693 -1.332 -0.383
19 C23 C C18 N Y N 0 3.086 -1.258 0.105
20 C24 C C19 N Y N 0 3.892 -2.316 0.324
21 C25 C C20 N Y N 0 5.153 -1.996 0.781
22 C26 C C21 N Y N 0 5.384 -0.689 0.937
23 C27 C C22 N N N 0 6.679 -0.09 1.421
24 C29 C C23 R N N 0 8.828 0.768 0.708
25 C33 C C24 N N N 0 9.869 -0.34 0.98
26 N03 N N1 N N N 0 -2.522 0.806 -0.778
27 C05 C C25 N Y N 0 -4.662 1.637 0.075
28 N11 N N2 N N N 0 -7.126 -1.09 0.324
29 N14 N N3 N N N 0 -9.163 -3.013 -0.211
30 N28 N N4 N N N 0 7.554 0.181 0.272
31 C30 C C26 N N N 0 9.457 1.602 -0.431
32 C31 C C27 N N N 0 10.804 0.899 -0.712
33 O32 O O2 N N N 0 10.615 -0.457 -0.251
34 S34 S S1 N Y N 0 3.952 0.226 0.484
35 C35 C C28 N Y N 0 0.955 -0.163 -0.577
36 H1 H H1 N N N 0 -0.129 1.545 -3.059
37 H2 H H2 N N N 0 -1.602 0.573 -3.291
38 H3 H H3 N N N 0 -1.731 2.297 -2.868
39 H4 H H4 N N N 0 -0.697 1.834 -0.662
40 H5 H H5 N N N 0 -4.879 4.582 -0.253
41 H6 H H6 N N N 0 -5.288 4.642 1.478
42 H7 H H7 N N N 0 -3.723 3.974 0.956
43 H8 H H8 N N N 0 -7.261 3.315 1.445
44 H9 H H9 N N N 0 -8.281 1.085 1.279
45 H10 H H10 N N N 0 -8.834 -0.546 1.5
46 H11 H H11 N N N 0 -10.536 -1.358 -0.075
47 H12 H H12 N N N 0 -9.213 -1.155 -1.303
48 H13 H H13 N N N 0 -7.943 -3.295 1.543
49 H14 H H14 N N N 0 -9.664 -2.825 1.877
50 H15 H H15 N N N 0 -4.675 -0.454 -0.428
51 H16 H H16 N N N 0 -1.935 -1.524 -1.656
52 H17 H H17 N N N 0 -0.641 -3.591 -1.325
53 H18 H H18 N N N 0 1.677 -3.479 -0.512
54 H19 H H19 N N N 0 3.574 -3.335 0.155
55 H20 H H20 N N N 0 5.899 -2.747 0.997
56 H21 H H21 N N N 0 6.473 0.842 1.948
57 H22 H H22 N N N 0 7.173 -0.788 2.097
58 H23 H H23 N N N 0 8.681 1.383 1.595
59 H24 H H24 N N N 0 10.529 -0.049 1.797
60 H25 H H25 N N N 0 9.37 -1.281 1.214
61 H26 H H26 N N N 0 -2.892 -0.09 -0.758
62 H27 H H27 N N N 0 -6.621 -1.833 -0.043
63 H28 H H28 N N N 0 -9.988 -3.589 -0.276
64 H30 H H30 N N N 0 7.093 0.775 -0.401
65 H32 H H32 N N N 0 8.822 1.579 -1.317
66 H33 H H33 N N N 0 9.621 2.629 -0.106
67 H34 H H34 N N N 0 11.022 0.91 -1.779
68 H35 H H35 N N N 0 11.607 1.382 -0.155
69 H36 H H36 N N N 0 1.401 0.799 -0.371