Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : EEJ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 77


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 -5.417 0.57 1.043
2 C17 C C2 N Y N 0 -4.378 -0.303 -0.953
3 C16 C C3 N Y N 0 -5.286 -1.34 -0.969
4 C15 C C4 N Y N 0 -6.264 -1.425 0.015
5 C19 C C5 N Y N 0 4.585 -3.473 0.479
6 C20 C C6 N Y N 0 4.846 -4.814 0.242
7 C21 C C7 N Y N 0 4.04 -5.535 -0.618
8 C22 C C8 N Y N 0 2.966 -4.928 -1.248
9 C23 C C9 N Y N 0 2.69 -3.595 -1.024
10 C24 C C10 N Y N 0 3.498 -2.853 -0.158
11 C11 C C11 N Y N 0 -2.088 1.539 -0.032
12 C12 C C12 N Y N 0 -4.438 0.659 0.054
13 C34 C C13 N N N 0 -8.455 -2.268 0.391
14 C27 C C14 N Y N 0 6.747 -2.756 1.422
15 CL1 CL CL1 N N N 0 1.962 -5.848 -2.325
16 CL2 CL CL2 N N N 0 -5.577 3.471 0.346
17 N3 N N1 N N N 0 0.535 1.016 -0.372
18 C4 C C15 S N N 0 0.25 2.432 -0.13
19 C5 C C16 N Y N 0 -1.24 2.632 -0.012
20 C6 C C17 N N N 0 0.786 3.267 -1.294
21 N7 N N2 N Y N 0 -1.735 3.849 0.109
22 N8 N N3 N Y N 0 -2.994 4.075 0.211
23 C9 C C18 N Y N 0 -3.886 3.103 0.203
24 C10 C C19 N Y N 0 -3.463 1.776 0.073
25 C14 C C20 N Y N 0 -6.323 -0.469 1.023
26 N18 N N4 N N N 0 -7.183 -2.477 -0.004
27 N25 N N5 N Y N 0 5.398 -2.743 1.353
28 C26 C C21 N N N 0 3.212 -1.431 0.086
29 N28 N N6 N Y N 0 7.095 -1.934 2.378
30 N29 N N7 N Y N 0 6.057 -1.403 2.917
31 N30 N N8 N Y N 0 4.986 -1.838 2.347
32 C31 C C22 N N N 0 2.015 -0.915 -0.264
33 C32 C C23 N N N 0 1.73 0.5 -0.022
34 O33 O O1 N N N 0 2.572 1.211 0.495
35 O35 O O2 N N N 0 -8.782 -1.188 0.841
36 O36 O O3 N N N 0 -9.363 -3.257 0.288
37 C37 C C24 N N N 0 -10.713 -2.961 0.733
38 C38 C C25 R N N 0 2.312 3.163 -1.336
39 C39 C C26 N N N 0 2.84 3.895 -2.572
40 C40 C C27 N N N 0 4.363 3.763 -2.633
41 C41 C C28 N N N 0 4.978 4.412 -1.388
42 N42 N N9 N N N 0 4.367 3.813 -0.193
43 C43 C C29 N N N 0 2.903 3.805 -0.077
44 C44 C C30 N N N 0 5.136 3.281 0.778
45 O45 O O4 N N N 0 4.621 2.79 1.759
46 C46 C C31 N N N 0 6.637 3.297 0.643
47 H52 H H1 N N N 0 -5.463 1.311 1.827
48 H55 H H2 N N N 0 -3.618 -0.238 -1.717
49 H54 H H3 N N N 0 -5.237 -2.088 -1.747
50 H57 H H4 N N N 0 5.681 -5.295 0.729
51 H58 H H5 N N N 0 4.248 -6.58 -0.799
52 H59 H H6 N N N 0 1.852 -3.125 -1.518
53 H51 H H7 N N N 0 -1.701 0.535 -0.131
54 H61 H H8 N N N 0 7.415 -3.34 0.806
55 H47 H H9 N N N 0 -0.136 0.449 -0.784
56 H48 H H10 N N N 0 0.732 2.747 0.796
57 H50 H H11 N N N 0 0.37 2.894 -2.23
58 H49 H H12 N N N 0 0.496 4.309 -1.158
59 H53 H H13 N N N 0 -7.078 -0.542 1.791
60 H56 H H14 N N N 0 -6.906 -3.358 -0.301
61 H60 H H15 N N N 0 3.959 -0.801 0.544
62 H62 H H16 N N N 0 1.268 -1.545 -0.723
63 H64 H H17 N N N 0 -10.696 -2.688 1.788
64 H63 H H18 N N N 0 -11.115 -2.132 0.149
65 H65 H H19 N N N 0 -11.342 -3.841 0.595
66 H66 H H20 N N N 0 2.604 2.114 -1.382
67 H68 H H21 N N N 0 2.402 3.456 -3.469
68 H67 H H22 N N N 0 2.568 4.949 -2.514
69 H70 H H23 N N N 0 4.637 2.709 -2.666
70 H69 H H24 N N N 0 4.737 4.264 -3.526
71 H72 H H25 N N N 0 6.053 4.234 -1.377
72 H71 H H26 N N N 0 4.784 5.484 -1.401
73 H73 H H27 N N N 0 2.538 4.827 0.018
74 H74 H H28 N N N 0 2.609 3.227 0.8
75 H76 H H31 N N N 0 7.09 3.346 1.634
76 H75 H H29 N N N 0 6.966 2.389 0.138
77 H77 H H30 N N N 0 6.941 4.168 0.062