Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : Q93

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 48


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 R N N 0 3.955 -0.268 0.924
2 O2 O O1 N N N 0 5.167 1.299 -0.351
3 C3 C C2 N N N 0 1.75 0.428 -0.044
4 O O O2 N N N 0 3.403 2.127 0.691
5 C17 C C3 N N N 0 3.075 -1.414 -1.602
6 C18 C C4 N N N 0 4.545 -1.008 -1.353
7 C15 C C5 N N N 0 3.888 -2.6 0.33
8 C14 C C6 S N N 0 2.573 -1.945 -0.224
9 C C C7 N N N 0 4.22 1.11 0.375
10 C16 C C8 R N N 0 4.794 -1.331 0.152
11 C2 C C9 S N N 0 2.484 -0.674 0.675
12 O1 O O3 N N N 0 2.283 1.013 -0.963
13 H1 H H1 N N N 0 4.183 -0.301 1.99
14 H3 H H3 N N N 0 2.489 -0.549 -1.912
15 H4 H H4 N N N 0 3.02 -2.199 -2.356
16 H5 H H5 N N N 0 5.214 -1.594 -1.983
17 H6 H H6 N N N 0 4.683 0.057 -1.542
18 H7 H H7 N N N 0 3.79 -2.89 1.376
19 H8 H H8 N N N 0 4.222 -3.432 -0.291
20 H9 H H9 N N N 0 1.688 -2.58 -0.24
21 H10 H H10 N N N 0 3.655 3.007 0.377
22 H11 H H11 N N N 0 5.834 -1.435 0.463
23 H12 H H12 N N N 0 1.99 -0.909 1.617
24 N1 N N1 N N Y 0 0.5 0.763 0.334
25 C5 C C10 N N Y 0 -0.272 1.766 -0.416
26 C6 C C11 N N Y 0 -0.13 0.131 1.503
27 C7 C C12 N N Y 0 -1.509 -0.394 1.088
28 C8 C C13 N N Y 0 -1.645 1.173 -0.751
29 N2 N N2 N N Y 0 -2.282 0.697 0.479
30 C10 C C14 N Y Y 0 -3.601 0.301 0.237
31 C11 C C15 N Y Y 0 -4.499 1.191 -0.337
32 C12 C C16 N Y Y 0 -4.013 -0.984 0.565
33 C13 C C17 N Y Y 0 -5.316 -1.373 0.324
34 C19 C C19 N Y Y 0 -5.802 0.798 -0.576
35 C20 C C20 N Y Y 0 -6.212 -0.482 -0.244
36 F1 F F1 N N Y 0 -7.486 -0.864 -0.479
37 H2 H H2 N N N 0 -0.398 2.661 0.193
38 H13 H H13 N N N 0 0.253 2.018 -1.337
39 H14 H H14 N N N 0 0.488 -0.697 1.849
40 H15 H H15 N N N 0 -0.243 0.866 2.3
41 H16 H H16 N N N 0 -1.388 -1.202 0.366
42 H17 H H17 N N N 0 -2.035 -0.767 1.967
43 H18 H H18 N N N 0 -2.27 1.939 -1.209
44 H19 H H19 N N N 0 -1.522 0.34 -1.444
45 H20 H H20 N N N 0 -4.18 2.19 -0.596
46 H21 H H21 N N N 0 -3.315 -1.679 1.007
47 H22 H H22 N N N 0 -5.637 -2.372 0.579
48 H23 H H23 N N N 0 -6.501 1.49 -1.022