Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QU7

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 63


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 S N N 0 2.299 -0.714 1.393
2 C02 C C2 S N N 0 3.021 0.274 2.322
3 C04 C C3 N N N 0 3.637 1.369 1.441
4 C05 C C4 N N N 0 3.287 1.03 -0.016
5 C06 C C5 S N N 0 2.116 0.037 0.046
6 C07 C C6 N N N 0 2.115 -0.905 -1.131
7 C08 C C7 N Y N 0 1.145 -2.019 -1.185
8 C09 C C8 N Y N 0 1.587 -3.338 -1.084
9 C10 C C9 N Y N 0 0.677 -4.374 -1.134
10 C11 C C10 N Y N 0 -0.672 -4.106 -1.285
11 C12 C C11 N Y N 0 -1.117 -2.8 -1.387
12 C13 C C12 N Y N 0 -0.217 -1.755 -1.332
13 C14 C C13 N N N 0 2.984 -0.734 -2.117
14 C15 C C14 N N N 0 0.813 0.782 0.196
15 C16 C C15 N Y N 0 0.387 1.908 -0.661
16 C17 C C16 N Y N 0 0.256 3.189 -0.123
17 C18 C C17 N Y N 0 -0.141 4.236 -0.929
18 C19 C C18 N Y N 0 -0.41 4.018 -2.268
19 C20 C C19 N Y N 0 -0.282 2.751 -2.809
20 C21 C C20 N Y N 0 0.119 1.696 -2.014
21 C22 C C21 N N N 0 0.103 0.292 1.198
22 C23 C C22 N N N 0 -1.25 0.805 1.619
23 C24 C C23 N N N 0 -2.343 -0.033 0.953
24 C25 C C24 N N N 0 -3.717 0.488 1.381
25 C26 C C25 N N N 0 -4.81 -0.35 0.715
26 C27 C C26 N N N 0 -6.183 0.171 1.143
27 C28 C C27 N N N 0 -7.277 -0.666 0.477
28 C29 C C28 N N N 0 0.832 -0.852 1.863
29 O03 O O1 N N N 0 4.05 -0.403 3.046
30 H1 H H1 N N N 0 2.814 -1.67 1.303
31 H2 H H2 N N N 0 2.308 0.715 3.019
32 H3 H H3 N N N 0 3.217 2.339 1.707
33 H4 H H4 N N N 0 4.719 1.385 1.571
34 H5 H H5 N N N 0 2.986 1.932 -0.549
35 H6 H H6 N N N 0 4.143 0.57 -0.509
36 H7 H H7 N N N 0 2.64 -3.549 -0.966
37 H8 H H8 N N N 0 1.018 -5.395 -1.056
38 H9 H H9 N N N 0 -1.381 -4.92 -1.325
39 H10 H H10 N N N 0 -2.171 -2.597 -1.504
40 H11 H H11 N N N 0 -0.566 -0.736 -1.407
41 H12 H H12 N N N 0 3.718 0.056 -2.06
42 H13 H H13 N N N 0 2.958 -1.385 -2.979
43 H15 H H15 N N N 0 0.465 3.36 0.923
44 H16 H H16 N N N 0 -0.243 5.227 -0.513
45 H17 H H17 N N N 0 -0.721 4.841 -2.895
46 H18 H H18 N N N 0 -0.494 2.588 -3.855
47 H19 H H19 N N N 0 0.219 0.708 -2.438
48 H21 H H21 N N N 0 -1.345 0.732 2.703
49 H22 H H22 N N N 0 -1.354 1.847 1.315
50 H23 H H23 N N N 0 -2.248 0.041 -0.13
51 H24 H H24 N N N 0 -3.812 0.415 2.464
52 H25 H H25 N N N 0 -4.715 -0.276 -0.368
53 H26 H H26 N N N 0 -4.706 -1.391 1.019
54 H27 H H27 N N N 0 -6.279 0.098 2.226
55 H28 H H28 N N N 0 -6.288 1.213 0.839
56 H29 H H29 N N N 0 -7.182 -0.593 -0.606
57 H33 H H33 N N N 0 0.771 -0.761 2.948
58 H30 H H30 N N N 0 -7.173 -1.708 0.781
59 H31 H H31 N N N 0 -8.255 -0.295 0.782
60 H32 H H32 N N N 0 0.417 -1.806 1.538
61 H34 H H34 N N N 0 4.545 0.165 3.651
62 H14 H H14 N N N 0 -2.239 -1.074 1.257
63 H20 H H20 N N N 0 -3.821 1.53 1.077