Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : J6J

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 73


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C13 C C1 N Y N 0 6.222 0.478 0.473
2 C18 C C2 N Y N 0 7.213 -0.093 1.276
3 C17 C C3 N Y N 0 8.445 0.516 1.383
4 C16 C C4 N Y N 0 8.701 1.694 0.698
5 C15 C C5 N Y N 0 7.721 2.266 -0.099
6 C20 C C6 N Y N 0 -0.743 -1.938 -0.791
7 C21 C C7 N N N 0 3.397 3.895 -1.533
8 C22 C C8 N Y N 0 -1.19 -3.138 -1.346
9 C23 C C9 N Y N 0 -2.481 -3.248 -1.817
10 C24 C C10 N Y N 0 -3.346 -2.166 -1.742
11 C34 C C11 N Y N 0 -5.447 2.222 0.605
12 C27 C C12 N N N 0 -3.823 0.198 -1.105
13 C33 C C13 N N N 0 -4.661 3.332 -1.607
14 O1 O O1 N Y N 0 4.533 -1.3 0.976
15 C2 C C14 N Y N 0 4.9 -0.166 0.358
16 C3 C C15 N Y N 0 3.843 0.306 -0.403
17 C4 C C16 N Y N 0 2.749 -0.665 -0.2
18 C5 C C17 N Y N 0 3.261 -1.637 0.674
19 C6 C C18 N Y N 0 1.447 -0.76 -0.678
20 C7 C C19 N Y N 0 0.648 -1.827 -0.287
21 C8 C C20 N Y N 0 1.159 -2.799 0.586
22 C9 C C21 N Y N 0 2.455 -2.701 1.061
23 C10 C C22 N N N 0 3.816 1.514 -1.234
24 O11 O O2 N N N 0 4.149 1.455 -2.403
25 N12 N N1 N N N 0 3.424 2.689 -0.703
26 C14 C C23 N Y N 0 6.486 1.666 -0.215
27 F19 F F1 N N N 0 9.91 2.287 0.808
28 C25 C C24 N Y N 0 -2.907 -0.956 -1.187
29 C26 C C25 N Y N 0 -1.599 -0.845 -0.715
30 N28 N N2 N N N 0 -3.398 1.36 -0.57
31 O29 O O3 N N N 0 -4.962 0.1 -1.52
32 N30 N N3 N N N 0 0.355 -3.87 0.979
33 C31 C C26 N N N 0 -4.338 2.468 -0.386
34 C32 C C27 N N N 0 -3.783 3.89 -0.485
35 N35 N N4 N Y N 0 -5.233 1.405 1.616
36 C36 C C28 N Y N 0 -6.182 1.164 2.506
37 C37 C C29 N Y N 0 -7.415 1.786 2.363
38 C38 C C30 N Y N 0 -7.601 2.64 1.285
39 N39 N N5 N Y N 0 -6.602 2.835 0.439
40 C40 C C31 N N N 0 0.885 -4.887 1.891
41 C41 C C32 N N N 0 -0.191 -5.942 2.158
42 F42 F F2 N N N 0 -8.41 1.561 3.248
43 O43 O O4 N N N 0 -4.615 -2.278 -2.207
44 C44 C C33 N N N 0 -4.994 -3.54 -2.761
45 H51 H H1 N N N 0 7.015 -1.011 1.81
46 H50 H H2 N N N 0 9.212 0.076 2.003
47 H49 H H3 N N N 0 7.926 3.184 -0.63
48 H54 H H4 N N N 0 4.399 4.099 -1.911
49 H52 H H5 N N N 0 2.717 3.745 -2.371
50 H53 H H6 N N N 0 3.055 4.74 -0.935
51 H55 H H7 N N N 0 -0.521 -3.984 -1.408
52 H56 H H8 N N N 0 -2.82 -4.18 -2.245
53 H62 H H9 N N N 0 -4.173 3.075 -2.547
54 H63 H H10 N N N 0 -5.675 3.722 -1.694
55 H45 H H11 N N N 0 1.059 -0.009 -1.35
56 H46 H H12 N N N 0 2.841 -3.454 1.732
57 H47 H H13 N N N 0 3.159 2.735 0.229
58 H48 H H14 N N N 0 5.724 2.112 -0.837
59 H57 H H15 N N N 0 -1.254 0.084 -0.286
60 H58 H H16 N N N 0 -2.47 1.462 -0.308
61 H59 H H17 N N N 0 -0.554 -3.941 0.648
62 H60 H H18 N N N 0 -2.717 4.001 -0.688
63 H61 H H19 N N N 0 -4.219 4.648 0.166
64 H64 H H20 N N N 0 -6.0 0.493 3.332
65 H65 H H21 N N N 0 -8.546 3.142 1.14
66 H67 H H22 N N N 0 1.755 -5.363 1.439
67 H66 H H23 N N N 0 1.175 -4.417 2.831
68 H69 H H24 N N N 0 -1.061 -5.466 2.611
69 H68 H H25 N N N 0 -0.481 -6.412 1.219
70 H70 H H26 N N N 0 0.203 -6.699 2.837
71 H71 H H27 N N N 0 -4.35 -3.773 -3.609
72 H72 H H28 N N N 0 -4.891 -4.315 -2.002
73 H73 H H29 N N N 0 -6.031 -3.493 -3.094