Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 867

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 85


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 13.306 -1.164 -0.376
2 C2 C C2 N Y N 0 13.351 0.218 -0.119
3 C3 C C3 N Y N 0 12.218 0.907 0.19
4 N1 N N1 N N N 0 7.427 0.917 0.937
5 C5 C C4 N Y N 0 10.925 -1.162 -0.004
6 C6 C C5 N Y N 0 12.104 -1.852 -0.32
7 C11 C C6 N N N 0 14.548 -1.886 -0.714
8 C12 C C7 N N N 0 16.9 -1.997 -1.109
9 C13 C C8 N N N 0 6.259 0.539 0.38
10 C16 C C9 N N N 0 1.371 1.105 0.132
11 C17 C C10 N N N 0 -2.214 2.112 0.523
12 C10 C C11 N Y N 0 9.69 -1.832 0.061
13 C14 C C12 N N N 0 3.839 0.716 0.158
14 C15 C C13 N N N 0 2.697 1.534 0.764
15 C18 C C14 N N N 0 -7.13 2.426 0.026
16 C19 C C15 R N N 0 -8.297 1.818 -0.754
17 C20 C C16 S N N 0 -9.61 2.562 -0.424
18 C21 C C17 R N N 0 -10.679 1.447 -0.406
19 C22 C C18 R N N 0 -9.886 0.161 -0.728
20 C23 C C19 N Y N 0 -9.931 -1.416 1.241
21 C24 C C20 N Y N 0 -11.594 -2.712 0.733
22 C25 C C21 N Y N 0 -12.618 -3.67 0.636
23 C26 C C22 N Y N 0 -13.26 -2.728 -1.371
24 C27 C C23 N Y N 0 -11.469 -1.767 -0.299
25 C28 C C24 N N N 0 0.229 1.923 0.738
26 C29 C C25 N N N 0 -4.656 2.366 0.371
27 C30 C C26 N N N 0 -5.823 1.758 -0.409
28 C4 C C27 N Y N 0 10.979 0.232 0.254
29 C7 C C28 N Y N 0 9.799 0.919 0.569
30 C8 C C29 N Y N 0 8.605 0.233 0.623
31 C9 C C30 N Y N 0 8.56 -1.143 0.368
32 N10 N N2 N Y N 0 -12.316 -1.812 -1.322
33 N2 N N3 N N N 0 5.109 1.127 0.763
34 N3 N N4 N N N 0 -1.04 1.512 0.133
35 N4 N N5 N N N 0 -3.405 1.727 -0.045
36 N5 N N6 N N N 0 -2.197 3.046 1.432
37 N6 N N7 N Y N 0 -10.409 -0.968 0.046
38 N7 N N8 N Y N 0 -10.627 -2.44 1.642
39 N8 N N9 N N N 0 -12.79 -4.625 1.622
40 N9 N N10 N Y N 0 -13.417 -3.636 -0.426
41 O1 O O1 N N N 0 12.278 2.242 0.435
42 O2 O O2 N N N 0 15.719 -1.223 -0.77
43 O3 O O3 N N N 0 14.514 -3.079 -0.942
44 O4 O O4 N N N 0 6.244 -0.333 -0.467
45 O5 O O5 N N N 0 -9.908 3.526 -1.436
46 O6 O O6 N N N 0 -11.67 1.688 -1.407
47 O7 O O7 N N N 0 -8.529 0.456 -0.333
48 H1 H H1 N N N 0 14.296 0.74 -0.166
49 H7 H H2 N N N 0 7.45 1.663 1.556
50 H2 H H3 N N N 0 12.076 -2.913 -0.518
51 H9 H H4 N N N 0 17.772 -1.344 -1.119
52 H10 H H5 N N N 0 17.044 -2.783 -0.367
53 H8 H H6 N N N 0 16.77 -2.446 -2.093
54 H17 H H7 N N N 0 1.41 1.277 -0.944
55 H16 H H8 N N N 0 1.203 0.046 0.325
56 H5 H H9 N N N 0 9.64 -2.894 -0.133
57 H13 H H10 N N N 0 3.671 -0.343 0.351
58 H12 H H11 N N N 0 3.878 0.888 -0.918
59 H15 H H12 N N N 0 2.866 2.593 0.571
60 H14 H H13 N N N 0 2.659 1.362 1.84
61 H21 H H14 N N N 0 -7.076 3.496 -0.176
62 H22 H H15 N N N 0 -7.283 2.265 1.093
63 H23 H H16 N N N 0 -8.098 1.857 -1.825
64 H29 H H20 N N N 0 -9.094 -0.989 1.774
65 H24 H H17 N N N 0 -9.541 3.044 0.552
66 H26 H H18 N N N 0 -11.142 1.377 0.578
67 H28 H H19 N N N 0 -9.932 -0.056 -1.795
68 H32 H H21 N N N 0 -13.933 -2.737 -2.217
69 H33 H H22 N N N 0 0.191 1.751 1.814
70 H34 H H23 N N N 0 0.398 2.982 0.545
71 H36 H H24 N N N 0 -4.602 3.436 0.169
72 H35 H H25 N N N 0 -4.809 2.205 1.438
73 H38 H H26 N N N 0 -5.878 0.688 -0.207
74 H37 H H27 N N N 0 -5.67 1.919 -1.476
75 H3 H H28 N N N 0 9.825 1.981 0.768
76 H4 H H29 N N N 0 7.614 -1.663 0.416
77 H11 H H30 N N N 0 5.121 1.822 1.439
78 H18 H H31 N N N 0 -1.053 0.817 -0.543
79 H19 H H32 N N N 0 -3.417 1.031 -0.721
80 H20 H H33 N N N 0 -1.357 3.318 1.833
81 H31 H H34 N N N 0 -12.2 -4.639 2.392
82 H30 H H35 N N N 0 -13.5 -5.281 1.543
83 H6 H H36 N N N 0 12.162 2.792 -0.351
84 H25 H H37 N N N 0 -10.723 4.022 -1.279
85 H27 H H38 N N N 0 -12.158 2.514 -1.287