Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : J1E

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 65


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 R N N 0 3.589 -2.664 0.09
2 C13 C C2 S N N 0 1.136 -1.306 -0.591
3 C15 C C3 N N N 0 -1.679 -1.15 -0.257
4 C17 C C4 N N N 0 -4.148 -1.176 0.123
5 C20 C C5 N Y N 0 -8.616 1.044 0.389
6 C21 C C6 N Y N 0 -9.247 0.655 -0.79
7 C22 C C7 N Y N 0 -10.527 1.097 -1.064
8 C24 C C8 N Y N 0 -10.559 2.314 1.005
9 C01 C C9 N Y N 0 8.642 1.762 -0.38
10 C02 C C10 N Y N 0 7.343 1.55 0.077
11 C03 C C11 N Y N 0 6.828 2.351 1.094
12 C04 C C12 N Y N 0 7.606 3.349 1.646
13 C05 C C13 N Y N 0 8.895 3.556 1.19
14 C06 C C14 N Y N 0 9.413 2.764 0.179
15 C07 C C15 N Y N 0 6.509 0.476 -0.519
16 C08 C C16 N Y N 0 5.228 0.15 -0.18
17 C09 C C17 R N N 0 2.209 -3.325 0.139
18 C11 C C18 S N N 0 3.587 -1.569 -0.981
19 C12 C C19 R N N 0 2.474 -0.565 -0.668
20 C14 C C20 N N N 0 2.187 -4.378 1.248
21 C16 C C21 S N N 0 -2.898 -0.294 0.092
22 C19 C C22 N Y N 0 -6.464 -0.236 -0.09
23 F01 F F1 N N N 0 10.675 2.967 -0.259
24 N01 N N1 N Y N 0 6.863 -0.367 -1.505
25 N02 N N2 N Y N 0 5.875 -1.152 -1.754
26 N03 N N3 N Y N 0 4.881 -0.882 -0.983
27 N04 N N4 N Y N 0 -5.295 -0.383 0.574
28 N05 N N5 N Y N 0 -5.359 0.291 1.668
29 N06 N N6 N Y N 0 -6.5 0.876 1.77
30 O01 O O1 N N N 0 1.216 -2.332 0.404
31 O02 O O2 N N N 0 3.886 -2.085 1.363
32 O03 O O3 N N N 0 0.94 -5.076 1.217
33 O04 O O4 N N N 0 2.415 0.421 -1.7
34 O05 O O5 N N N 0 -3.061 0.728 -0.893
35 S01 S S1 N N N 0 -0.178 -0.136 -0.149
36 C18 C C23 N Y N 0 -7.238 0.577 0.686
37 C23 C C24 N Y N 0 -11.182 1.926 -0.167
38 C25 C C25 N Y N 0 -9.28 1.877 1.287
39 F02 F F2 N N N 0 -11.141 0.722 -2.207
40 H08 H H1 N N N 0 4.343 -3.412 -0.154
41 H11 H H2 N N N 0 0.913 -1.755 -1.559
42 H18 H H3 N N N 0 -1.607 -1.982 0.443
43 H17 H H4 N N N 0 -1.785 -1.536 -1.271
44 H20 H H5 N N N 0 -4.345 -1.563 -0.876
45 H19 H H6 N N N 0 -3.99 -2.007 0.81
46 H22 H H7 N N N 0 -8.736 0.01 -1.49
47 H24 H H8 N N N 0 -11.073 2.96 1.7
48 H02 H H9 N N N 0 9.047 1.141 -1.165
49 H03 H H10 N N N 0 5.821 2.191 1.451
50 H04 H H11 N N N 0 7.207 3.97 2.434
51 H05 H H12 N N N 0 9.5 4.338 1.624
52 H06 H H13 N N N 0 4.616 0.619 0.575
53 H07 H H14 N N N 0 2.001 -3.8 -0.82
54 H09 H H15 N N N 0 3.41 -2.017 -1.959
55 H10 H H16 N N N 0 2.678 -0.082 0.288
56 H21 H H20 N N N 0 -6.729 -0.67 -1.043
57 H13 H H17 N N N 0 3.002 -5.085 1.094
58 H14 H H18 N N N 0 2.307 -3.891 2.215
59 H01 H H19 N N N 0 -2.753 0.164 1.071
60 H12 H H21 N N N 0 3.903 -2.722 2.09
61 H23 H H25 N N N 0 -12.182 2.27 -0.384
62 H15 H H22 N N N 0 0.855 -5.76 1.894
63 H16 H H23 N N N 0 1.727 1.088 -1.568
64 H26 H H24 N N N 0 -3.196 0.393 -1.789
65 H25 H H26 N N N 0 -8.795 2.18 2.203