Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 7EE

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N Y N 0 -4.988 -2.374 -1.05
2 C02 C C2 N Y N 0 -5.973 -1.895 -0.199
3 C03 C C3 N Y N 0 -5.667 -0.898 0.711
4 C04 C C4 N Y N 0 -4.383 -0.377 0.784
5 C05 C C5 N Y N 0 -3.404 -0.861 -0.06
6 C06 C C6 N Y N 0 -3.712 -1.856 -0.977
7 C07 C C7 N N N 0 -4.128 0.714 1.79
8 C08 C C8 N N N 0 -2.631 0.931 2.007
9 C09 C C9 R N N 0 -1.96 1.041 0.637
10 C10 C C10 S N N 0 -1.995 -0.347 -0.015
11 C11 C C11 S N N 0 -0.503 1.44 0.754
12 C12 C C12 S N N 0 0.031 1.587 -0.698
13 C13 C C13 N N N 0 0.101 0.205 -1.314
14 C14 C C14 N N N 0 -1.353 -0.331 -1.395
15 O01 O O1 N N N 0 -7.233 -2.401 -0.259
16 C15 C C15 N N N 0 -0.232 2.836 1.324
17 C16 C C16 N N N 0 1.179 3.172 0.766
18 C17 C C17 S N N 0 1.358 2.313 -0.511
19 C18 C C18 N N N 0 -0.924 2.463 -1.51
20 O02 O O2 N N N 0 1.626 3.152 -1.637
21 C19 C C19 N N N 0 2.449 1.343 -0.325
22 C20 C C20 N N N 0 3.32 0.57 -0.176
23 C21 C C21 N Y N 0 4.381 -0.374 0.005
24 C22 C C22 N Y N 0 5.69 0.073 0.195
25 C23 C C23 N Y N 0 6.709 -0.838 0.369
26 C24 C C24 N Y N 0 6.436 -2.201 0.355
27 C25 C C25 N Y N 0 5.133 -2.649 0.167
28 C26 C C26 N Y N 0 4.109 -1.743 -0.002
29 N01 N N1 N N N 0 7.47 -3.121 0.531
30 H1 H H1 N N N 0 -5.218 -3.152 -1.763
31 H2 H H2 N N N 0 -6.435 -0.522 1.372
32 H3 H H3 N N N 0 -2.945 -2.228 -1.64
33 H4 H H4 N N N 0 -4.575 1.642 1.432
34 H5 H H5 N N N 0 -4.59 0.44 2.738
35 H6 H H6 N N N 0 -2.47 1.851 2.569
36 H7 H H7 N N N 0 -2.212 0.087 2.554
37 H8 H H8 N N N 0 -2.494 1.764 0.02
38 H9 H H9 N N N 0 -1.413 -1.016 0.618
39 H10 H H10 N N N 0 0.058 0.677 1.294
40 H11 H H11 N N N 0 0.527 0.268 -2.315
41 H12 H H12 N N N 0 0.715 -0.446 -0.692
42 H13 H H13 N N N 0 -1.337 -1.345 -1.796
43 H14 H H14 N N N 0 -1.939 0.307 -2.057
44 H15 H H15 N N N 0 -7.38 -3.161 0.321
45 H16 H H16 N N N 0 -0.97 3.551 0.961
46 H17 H H17 N N N 0 -0.22 2.812 2.414
47 H18 H H18 N N N 0 1.24 4.231 0.517
48 H19 H H19 N N N 0 1.942 2.915 1.501
49 H20 H H20 N N N 0 -1.038 3.429 -1.018
50 H21 H H21 N N N 0 -0.52 2.611 -2.511
51 H22 H H22 N N N 0 -1.896 1.974 -1.579
52 H23 H H23 N N N 0 2.458 3.64 -1.574
53 H24 H H24 N N N 0 5.903 1.132 0.205
54 H25 H H25 N N N 0 7.722 -0.492 0.516
55 H26 H H26 N N N 0 4.924 -3.709 0.156
56 H27 H H27 N N N 0 3.096 -2.092 -0.144
57 H28 H H28 N N N 0 8.379 -2.809 0.662
58 H29 H H29 N N N 0 7.28 -4.072 0.522