Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : E6E

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 79


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -0.693 4.764 2.971
2 O1 O O1 N N N 0 -1.451 3.963 2.062
3 C2 C C2 N Y N 0 -2.449 4.581 1.379
4 C3 C C3 N Y N 0 -2.692 5.933 1.575
5 C4 C C4 N Y N 0 -3.708 6.559 0.879
6 C5 C C5 N Y N 0 -4.483 5.84 -0.012
7 C6 C C6 N Y N 0 -4.243 4.493 -0.209
8 C7 C C7 N Y N 0 -3.225 3.863 0.479
9 C8 C C8 N N N 0 -2.96 2.396 0.259
10 O2 O O2 N N N 0 -3.882 1.885 -0.705
11 C9 C C9 N Y N 0 -3.779 0.566 -1.02
12 C10 C C10 N Y N 0 -2.816 -0.216 -0.412
13 C11 C C11 N Y N 0 -2.716 -1.572 -0.734
14 C12 C C12 N N N 0 -1.691 -2.412 -0.087
15 N1 N N1 N N N 0 -0.509 -1.929 0.143
16 N2 N N2 N N N 0 0.483 -2.714 0.745
17 C13 C C13 N N N 0 1.896 -2.378 0.55
18 C14 C C14 N N N 0 2.234 -2.433 -0.942
19 C15 C C15 N N N 0 3.695 -2.023 -1.144
20 N3 N N3 N N N 0 3.899 -0.663 -0.627
21 C16 C C16 N Y N 0 5.177 -0.211 -0.911
22 N4 N N4 N Y N 0 6.034 -0.98 -1.571
23 C17 C C17 N Y N 0 7.254 -0.552 -1.844
24 N5 N N5 N Y N 0 7.682 0.632 -1.487
25 C18 C C18 N Y N 0 6.884 1.49 -0.811
26 C19 C C19 N Y N 0 7.152 2.787 -0.345
27 C20 C C20 N Y N 0 6.159 3.387 0.292
28 S1 S S1 N Y N 0 4.748 2.344 0.368
29 C21 C C21 N Y N 0 5.586 1.072 -0.511
30 C22 C C22 N N N 0 3.626 -0.597 0.815
31 C23 C C23 N N N 0 2.163 -0.965 1.075
32 C24 C C24 N N N 0 0.143 -3.778 1.503
33 O3 O O3 N N N 0 0.997 -4.425 2.072
34 C25 C C25 R N N 0 -1.311 -4.151 1.631
35 C26 C C26 N N N 0 -1.457 -5.651 1.888
36 C27 C C27 N N N 0 -2.9 -6.047 1.749
37 C28 C C28 N N N 0 -3.797 -5.326 1.154
38 C29 C C29 N N N 0 -3.522 -3.991 0.522
39 C30 C C30 R N N 0 -2.019 -3.825 0.311
40 C31 C C31 N Y N 0 -3.589 -2.131 -1.67
41 C32 C C32 N Y N 0 -4.548 -1.343 -2.273
42 C33 C C33 N Y N 0 -4.647 0.002 -1.953
43 O4 O O4 N N N 0 -5.597 0.772 -2.547
44 C34 C C34 N N N 0 -6.453 0.131 -3.494
45 H1 H H1 N N N 0 -1.357 5.176 3.731
46 H2 H H2 N N N 0 0.069 4.149 3.449
47 H3 H H3 N N N 0 -0.215 5.578 2.426
48 H4 H H4 N N N 0 -2.088 6.495 2.272
49 H5 H H5 N N N 0 -3.897 7.612 1.031
50 H6 H H6 N N N 0 -5.276 6.332 -0.555
51 H10 H H10 N N N 0 -2.142 0.22 0.312
52 H7 H H7 N N N 0 -4.85 3.933 -0.906
53 H8 H H8 N N N 0 -1.941 2.261 -0.105
54 H9 H H9 N N N 0 -3.083 1.859 1.2
55 H11 H H11 N N N 0 2.517 -3.092 1.091
56 H12 H H12 N N N 0 2.087 -3.447 -1.312
57 H13 H H13 N N N 0 1.585 -1.748 -1.487
58 H14 H H14 N N N 0 4.344 -2.716 -0.609
59 H15 H H15 N N N 0 3.935 -2.046 -2.207
60 H16 H H16 N N N 0 7.925 -1.206 -2.382
61 H17 H H17 N N N 0 8.108 3.265 -0.497
62 H18 H H18 N N N 0 6.209 4.382 0.709
63 H19 H H19 N N N 0 4.275 -1.297 1.34
64 H20 H H20 N N N 0 3.815 0.414 1.174
65 H21 H H21 N N N 0 1.513 -0.257 0.561
66 H22 H H22 N N N 0 1.965 -0.931 2.147
67 H23 H H23 N N N 0 -1.767 -3.58 2.44
68 H24 H H24 N N N 0 -0.858 -6.204 1.165
69 H25 H H25 N N N 0 -1.113 -5.882 2.897
70 H26 H H26 N N N 0 -3.209 -6.991 2.172
71 H27 H H27 N N N 0 -4.806 -5.71 1.109
72 H28 H H28 N N N 0 -4.036 -3.931 -0.438
73 H29 H H29 N N N 0 -3.884 -3.198 1.177
74 H30 H H30 N N N 0 -1.684 -4.514 -0.464
75 H31 H H31 N N N 0 -3.514 -3.178 -1.921
76 H32 H H32 N N N 0 -5.223 -1.776 -2.997
77 H33 H H33 N N N 0 -6.996 -0.678 -3.004
78 H34 H H34 N N N 0 -7.163 0.856 -3.892
79 H35 H H35 N N N 0 -5.854 -0.276 -4.309