Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KIO

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 N1 N N1 N Y N 0 9.151 -1.825 0.084
2 C7 C C1 N N N 0 1.128 1.629 -0.347
3 C8 C C2 N N N 0 0.121 0.85 -2.405
4 N2 N N2 N Y N 0 6.853 -2.074 0.083
5 C9 C C3 N N N 0 -0.691 0.169 -1.378
6 O1 O O1 N N N 0 -3.79 0.836 0.063
7 C1 C C4 N Y N 0 8.068 -2.579 0.13
8 O5 O O2 N N N 0 -6.889 -0.474 -0.946
9 C5 C C5 R N N 0 4.169 -0.363 -0.065
10 C6 C C6 R N N 0 2.002 0.382 -0.192
11 N3 N N3 N Y N 0 7.328 1.354 -0.166
12 C4 C C7 N Y N 0 6.026 1.342 -0.176
13 O4 O O3 N N N 0 -7.16 1.696 0.337
14 C3 C C8 N Y N 0 7.79 0.084 -0.068
15 O3 O O4 N N N 0 0.031 3.234 0.384
16 C2 C C9 N Y N 0 6.668 -0.762 -0.015
17 N4 N N4 N Y N 0 5.572 0.06 -0.085
18 N N N5 N N N 0 10.206 0.28 -0.062
19 C C C10 N Y N 0 9.066 -0.502 -0.014
20 O O O5 N N N 0 3.334 0.636 -0.688
21 C10 C C11 N N N 0 -1.446 -0.569 -0.834
22 C11 C C12 N Y N 0 -2.388 -1.628 -0.602
23 C12 C C13 N Y N 0 -3.206 -3.614 -0.268
24 C13 C C14 N Y N 0 -3.48 -4.981 -0.072
25 C14 C C15 N Y N 0 -5.727 -4.472 0.068
26 C15 C C16 N Y N 0 -4.287 -2.715 -0.284
27 C16 C C17 R N N 0 -4.488 -0.214 -0.616
28 C17 C C18 R N N 0 -4.744 1.736 0.643
29 C18 C C19 N N N 0 -4.23 2.248 1.987
30 C19 C C20 N N N 0 -3.135 4.069 0.844
31 C20 C C21 N N N 0 -1.942 4.95 0.573
32 C21 C C22 N N N 0 -0.346 3.67 -0.683
33 C22 C C23 N N N 0 0.301 3.224 -1.969
34 C23 C C24 S N N 0 -6.051 0.952 0.847
35 C24 C C25 R N N 0 -5.869 -0.352 0.047
36 C25 C C26 S N N 0 2.195 0.044 1.303
37 C26 C C27 R N N 0 3.654 -0.458 1.388
38 N10 N N6 N Y N 0 -3.747 -1.47 -0.502
39 N11 N N7 N N N 0 -3.018 3.065 1.759
40 N12 N N8 N N N 0 -1.371 4.576 -0.745
41 N5 N N9 N N N 0 0.921 1.907 -1.774
42 N6 N N10 N Y N 0 -2.078 -2.895 -0.458
43 N7 N N11 N N N 0 -2.457 -5.913 -0.05
44 N8 N N12 N Y N 0 -4.745 -5.354 0.09
45 N9 N N13 N Y N 0 -5.517 -3.184 -0.109
46 O2 O O6 N N N 0 -4.181 4.251 0.258
47 O6 O O7 N N N 0 1.286 -0.982 1.706
48 O7 O O8 N N N 0 3.693 -1.811 1.846
49 H1 H H1 N N N 0 0.165 1.46 0.135
50 H2 H H2 N N N 0 1.624 2.48 0.121
51 H3 H H3 N N N 0 0.784 0.128 -2.882
52 H4 H H4 N N N 0 -0.536 1.29 -3.155
53 H5 H H5 N N N 0 8.184 -3.649 0.21
54 H6 H H6 N N N 0 -7.781 -0.564 -0.584
55 H7 H H7 N N N 0 4.056 -1.322 -0.571
56 H8 H H8 N N N 0 1.555 -0.461 -0.718
57 H9 H H9 N N N 0 5.399 2.218 -0.245
58 H10 H H10 N N N 0 -8.012 1.25 0.438
59 H11 H H11 N N N 0 10.131 1.244 -0.134
60 H12 H H12 N N N 0 11.082 -0.137 -0.024
61 H13 H H13 N N N 0 -6.741 -4.819 0.199
62 H14 H H14 N N N 0 -4.61 0.051 -1.667
63 H15 H H15 N N N 0 -4.916 2.572 -0.035
64 H16 H H16 N N N 0 -4.997 2.858 2.463
65 H17 H H17 N N N 0 -3.984 1.402 2.629
66 H18 H H18 N N N 0 -2.254 5.994 0.555
67 H19 H H19 N N N 0 -1.195 4.804 1.354
68 H20 H H20 N N N 0 -0.455 3.158 -2.752
69 H21 H H21 N N N 0 1.064 3.946 -2.26
70 H22 H H22 N N N 0 -6.198 0.731 1.904
71 H23 H H23 N N N 0 -5.884 -1.213 0.716
72 H24 H H24 N N N 0 2.061 0.934 1.917
73 H25 H H25 N N N 0 4.241 0.183 2.046
74 H26 H H26 N N N 0 -2.189 2.896 2.233
75 H27 H H27 N N N 0 -1.697 4.944 -1.581
76 H29 H H29 N N N 0 -2.66 -6.852 0.086
77 H30 H H30 N N N 0 -1.538 -5.627 -0.169
78 H31 H H31 N N N 0 1.364 -1.234 2.637
79 H32 H H32 N N N 0 3.325 -1.938 2.731