Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : K64

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 78


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -7.171 -2.291 2.428
2 C2 C C2 N Y N 0 -6.197 -1.514 3.027
3 C3 C C3 N Y N 0 -5.174 -0.979 2.272
4 C4 C C4 N Y N 0 -5.12 -1.223 0.899
5 C5 C C5 N Y N 0 -6.106 -2.003 0.295
6 C6 C C6 N Y N 0 -7.126 -2.539 1.063
7 C9 C C9 N N N 0 -6.055 -2.271 -1.187
8 C13 C C13 N N N 0 -4.024 -0.652 0.087
9 N14 N N14 N N N 0 -3.011 0.004 0.687
10 C15 C C15 S N N 0 -1.926 0.57 -0.118
11 C16 C C16 N N N 0 -2.332 1.957 -0.619
12 C17 C C17 N N N 0 -0.683 0.685 0.726
13 C19 C C19 R N N 0 0.675 0.694 0.07
14 N20 N N20 N N N 0 1.638 1.373 0.948
15 C21 C C21 R N N 0 2.956 1.212 0.33
16 C22 C C22 N N N 0 3.92 2.387 0.609
17 S23 S S23 N N N 0 2.827 3.572 1.497
18 C24 C C24 N N N 0 1.215 2.802 1.023
19 C27 C C27 N Y N 0 -3.493 1.826 -1.571
20 C30 C C30 N Y N 0 -4.789 1.874 -1.092
21 C31 C C31 N Y N 0 -5.854 1.754 -1.965
22 C32 C C32 N Y N 0 -5.623 1.587 -3.318
23 C33 C C33 N Y N 0 -4.328 1.541 -3.798
24 C34 C C34 N Y N 0 -3.263 1.665 -2.925
25 O41 O O41 N N N 0 -0.774 0.77 1.927
26 O44 O O44 N N N 0 0.597 1.386 -1.177
27 C45 C C45 N N N 0 5.083 1.942 1.497
28 C49 C C49 N N N 0 4.433 2.991 -0.7
29 C53 C C53 N N N 0 3.58 -0.057 0.85
30 N55 N N55 N N N 0 4.563 -0.659 0.153
31 C56 C C56 N N N 0 5.17 -1.893 0.659
32 O57 O O57 N N N 0 3.198 -0.536 1.897
33 O60 O O60 N N N 0 -8.086 -3.304 0.479
34 O62 O O62 N N N 0 -4.037 -0.774 -1.123
35 C63 C C63 N Y N 0 6.235 -2.359 -0.3
36 C66 C C66 N Y N 0 5.96 -3.371 -1.201
37 C67 C C67 N Y N 0 6.936 -3.798 -2.081
38 C68 C C68 N Y N 0 8.188 -3.211 -2.062
39 C70 C C70 N Y N 0 7.485 -1.769 -0.285
40 C69 C C69 N Y N 0 8.462 -2.197 -1.164
41 C75 C C75 N N N 0 7.784 -0.663 0.694
42 H33 H H33 N N N 0 -7.97 -2.707 3.024
43 H32 H H32 N N N 0 -6.238 -1.325 4.09
44 H31 H H31 N N N 0 -4.415 -0.373 2.744
45 H35 H H35 N N N 0 -6.508 -1.437 -1.723
46 H36 H H36 N N N 0 -5.017 -2.383 -1.501
47 H37 H H37 N N N 0 -6.602 -3.187 -1.41
48 H30 H H30 N N N 0 -3.001 0.101 1.652
49 H22 H H22 N N N 0 -1.728 -0.081 -0.97
50 H23 H H23 N N N 0 -2.625 2.578 0.227
51 H24 H H24 N N N 0 -1.49 2.418 -1.135
52 H20 H H20 N N N 0 1.001 -0.332 -0.103
53 H11 H H11 N N N 0 2.825 1.118 -0.748
54 H12 H H12 N N N 0 0.87 3.167 0.056
55 H13 H H13 N N N 0 0.46 2.954 1.795
56 H25 H H25 N N N 0 -4.969 2.004 -0.035
57 H26 H H26 N N N 0 -6.866 1.791 -1.591
58 H27 H H27 N N N 0 -6.455 1.493 -4.0
59 H28 H H28 N N N 0 -4.147 1.41 -4.854
60 H29 H H29 N N N 0 -2.25 1.628 -3.299
61 H21 H H21 N N N 0 -0.074 0.933 -1.707
62 H14 H H14 N N N 0 4.692 1.478 2.403
63 H15 H H15 N N N 0 5.699 1.223 0.957
64 H16 H H16 N N N 0 5.688 2.809 1.765
65 H17 H H17 N N N 0 5.023 3.881 -0.483
66 H18 H H18 N N N 0 5.055 2.261 -1.218
67 H19 H H19 N N N 0 3.587 3.26 -1.332
68 H10 H H10 N N N 0 4.869 -0.276 -0.684
69 H8 H H8 N N N 0 4.404 -2.663 0.753
70 H9 H H9 N N N 0 5.617 -1.704 1.635
71 H34 H H34 N N N 0 -8.793 -2.704 0.205
72 H7 H H7 N N N 0 4.982 -3.829 -1.216
73 H6 H H6 N N N 0 6.722 -4.59 -2.783
74 H5 H H5 N N N 0 8.951 -3.545 -2.749
75 H4 H H4 N N N 0 9.44 -1.738 -1.15
76 H1 H H1 N N N 0 7.541 0.299 0.241
77 H2 H H2 N N N 0 7.185 -0.802 1.594
78 H3 H H3 N N N 0 8.842 -0.684 0.954