Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : XKN

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 69


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 -4.074 3.256 -3.87
2 C10 C C2 R N N 0 -1.456 -3.414 1.122
3 C11 C C3 N N N 0 -0.932 -4.843 1.28
4 C12 C C4 N N N 0 0.876 -2.995 0.49
5 C13 C C5 N Y N 0 1.954 -2.071 0.085
6 C14 C C6 N Y N 0 3.079 -2.562 -0.571
7 C15 C C7 N Y N 0 4.091 -1.682 -0.951
8 C16 C C8 N Y N 0 5.87 -0.69 -1.706
9 C17 C C9 N N N 0 5.426 1.716 -1.093
10 C18 C C10 N Y N 0 6.071 2.027 0.233
11 C19 C C11 N Y N 0 7.437 1.845 0.401
12 C2 C C12 N N N 0 -4.423 2.519 -3.025
13 C20 C C13 N N N 0 9.592 1.223 -0.385
14 C21 C C14 N Y N 0 8.027 2.133 1.623
15 C22 C C15 N Y N 0 7.255 2.6 2.669
16 C23 C C16 N Y N 0 5.895 2.78 2.499
17 C24 C C17 N Y N 0 5.305 2.499 1.28
18 C25 C C18 N Y N 0 3.961 -0.311 -0.665
19 C26 C C19 N Y N 0 2.831 0.162 -0.008
20 C27 C C20 N Y N 0 1.839 -0.701 0.356
21 C28 C C21 N N N 0 -0.747 -1.183 0.177
22 C29 C C22 N N N 0 -1.947 -1.259 -0.772
23 C3 C C23 N Y N 0 -4.847 1.62 -1.994
24 C30 C C24 N Y N 0 -4.365 0.311 -1.963
25 C4 C C25 N Y N 0 -5.741 2.051 -1.013
26 C5 C C26 N Y N 0 -6.147 1.18 -0.023
27 C6 C C27 N Y N 0 -5.669 -0.118 -0.001
28 C7 C C28 N Y N 0 -4.778 -0.55 -0.967
29 C8 C C29 N N N 0 -4.258 -1.964 -0.932
30 C9 C C30 N N N 0 -2.629 -3.402 0.135
31 N1 N N1 N N N 0 -3.03 -2.014 -0.127
32 N2 N N2 N N N 0 -0.391 -2.549 0.592
33 N3 N N3 N Y N 0 5.281 -1.843 -1.587
34 N4 N N4 N Y N 0 5.102 0.288 -1.155
35 O1 O O1 N N N 0 -6.848 3.021 1.607
36 O2 O O2 N N N 0 -8.578 1.449 0.721
37 O3 O O3 N N N 0 8.194 1.386 -0.63
38 O4 O O4 N N N 0 1.132 -4.159 0.732
39 S1 S S1 N N N 0 -7.275 1.723 1.217
40 F1 F F1 N N Y 0 -7.067 0.772 2.5
41 H1 H H1 N N N 0 -3.763 3.914 -4.626
42 H2 H H2 N N N 0 -1.788 -3.037 2.089
43 H3 H H3 N N N 0 -0.512 -5.183 0.333
44 H4 H H4 N N N 0 -0.159 -4.863 2.048
45 H5 H H5 N N N 0 -1.751 -5.501 1.571
46 H6 H H6 N N N 0 3.167 -3.617 -0.785
47 H7 H H7 N N N 0 6.831 -0.532 -2.173
48 H8 H H8 N N N 0 4.513 2.301 -1.2
49 H9 H H9 N N N 0 6.115 1.967 -1.9
50 H10 H H10 N N N 0 10.027 2.183 -0.108
51 H11 H H11 N N N 0 9.738 0.51 0.427
52 H12 H H12 N N N 0 10.078 0.851 -1.287
53 H13 H H13 N N N 0 9.089 1.992 1.756
54 H14 H H14 N N N 0 7.713 2.82 3.622
55 H15 H H15 N N N 0 5.293 3.145 3.318
56 H16 H H16 N N N 0 4.242 2.641 1.15
57 H17 H H17 N N N 0 2.735 1.215 0.209
58 H18 H H18 N N N 0 0.963 -0.328 0.866
59 H19 H H19 N N N 0 0.099 -0.725 -0.337
60 H20 H H20 N N N 0 -1.01 -0.591 1.054
61 H21 H H21 N N N 0 -2.293 -0.252 -1.002
62 H22 H H22 N N N 0 -1.651 -1.762 -1.693
63 H23 H H23 N N N 0 -3.67 -0.027 -2.717
64 H24 H H24 N N N 0 -6.114 3.065 -1.029
65 H25 H H25 N N N 0 -5.99 -0.796 0.776
66 H26 H H26 N N N 0 -5.01 -2.616 -0.489
67 H27 H H27 N N N 0 -4.041 -2.296 -1.947
68 H28 H H28 N N N 0 -2.323 -3.875 -0.799
69 H29 H H29 N N N 0 -3.469 -3.95 0.562