Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KE8

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


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 7.368 3.485 -0.459
2 C5 C C2 N Y N 0 7.66 -0.02 0.369
3 C6 C C3 N Y N 0 6.908 1.069 0.046
4 C8 C C4 N Y N 0 4.781 -0.057 0.089
5 C10 C C5 N Y N 0 4.735 -2.304 0.608
6 C11 C C6 N Y N 0 3.36 -2.303 0.47
7 C12 C C7 N Y N 0 2.725 -1.103 0.126
8 C14 C C8 N Y N 0 1.258 -1.049 -0.033
9 C15 C C9 N Y N 0 0.561 0.047 -0.359
10 C16 C C10 N Y N 0 -0.828 -0.159 -0.45
11 C21 C C11 N N N 0 -5.143 0.722 0.399
12 C23 C C12 N N N 0 -7.084 1.821 1.342
13 C24 C C13 N N N 0 -8.507 2.295 1.031
14 C26 C C14 N N N 0 -8.789 0.491 -0.519
15 C27 C C15 N N N 0 -7.369 -0.001 -0.224
16 C28 C C16 N N N 0 -2.702 -1.522 -0.321
17 C31 C C17 N Y N 0 -1.193 -1.452 -0.186
18 N2 N N1 N Y N 0 7.751 2.115 -0.109
19 N3 N N2 N Y N 0 9.054 1.658 0.126
20 C4 C C18 N Y N 0 8.998 0.383 0.416
21 N7 N N3 N N N 0 5.523 1.098 -0.1
22 N9 N N4 N Y N 0 5.407 -1.18 0.413
23 N13 N N5 N Y N 0 3.467 -0.01 -0.054
24 C17 C C19 N N N 0 -2.055 0.617 -0.754
25 O18 O O1 N N N 0 -2.076 1.801 -1.033
26 N19 N N6 N N N 0 -3.138 -0.17 -0.68
27 C20 C C20 N N N 0 -4.521 0.25 -0.917
28 N22 N N7 N N N 0 -6.53 1.143 0.161
29 O25 O O2 N N N 0 -9.299 1.175 0.628
30 C29 C C21 N N N 0 -3.331 -1.945 1.008
31 C30 C C22 N N N 0 -3.086 -2.51 -1.424
32 S32 S S1 N Y N 0 0.173 -2.413 0.169
33 H33 H H1 N N N 0 7.174 4.052 0.451
34 H34 H H2 N N N 0 8.178 3.958 -1.015
35 H35 H H3 N N N 0 6.469 3.465 -1.074
36 H37 H H4 N N N 0 7.289 -1.016 0.559
37 H39 H H5 N N N 0 5.256 -3.212 0.872
38 H40 H H6 N N N 0 2.788 -3.207 0.623
39 H41 H H7 N N N 0 1.025 1.006 -0.535
40 H44 H H8 N N N 0 -5.13 -0.095 1.121
41 H45 H H9 N N N 0 -4.57 1.562 0.791
42 H47 H H10 N N N 0 -6.462 2.68 1.594
43 H46 H H11 N N N 0 -7.107 1.128 2.183
44 H48 H H12 N N N 0 -8.942 2.747 1.922
45 H49 H H13 N N N 0 -8.478 3.029 0.226
46 H50 H H14 N N N 0 -8.768 1.173 -1.37
47 H51 H H15 N N N 0 -9.428 -0.361 -0.751
48 H53 H H16 N N N 0 -7.397 -0.724 0.591
49 H52 H H17 N N N 0 -6.955 -0.473 -1.115
50 H36 H H18 N N N 0 9.841 -0.25 0.647
51 H38 H H19 N N N 0 5.077 1.928 -0.334
52 H42 H H20 N N N 0 -5.094 -0.591 -1.309
53 H43 H H21 N N N 0 -4.534 1.066 -1.638
54 H56 H H23 N N N 0 -3.054 -1.232 1.785
55 H54 H H24 N N N 0 -4.416 -1.967 0.906
56 H55 H H25 N N N 0 -2.971 -2.938 1.281
57 H58 H H26 N N N 0 -2.726 -3.505 -1.163
58 H59 H H27 N N N 0 -4.171 -2.533 -1.529
59 H57 H H28 N N N 0 -2.636 -2.197 -2.366