Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Atoms of Molecule

 Molecule : 478

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 70


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 6.097 0.699 -0.449
2 C2 C C2 N N N 0 5.942 0.687 -2.882
3 C3 C C3 N N N 0 3.027 -0.2 -0.841
4 C4 C C4 S N N 0 5.263 0.123 -1.61
5 C5 C C5 S N N 0 0.799 -0.681 0.02
6 C6 C C6 R N N 0 -0.624 -0.432 -0.484
7 C7 C C7 N N N 0 0.879 -0.344 1.51
8 C8 C C8 N Y N 0 2.245 -0.704 2.035
9 C9 C C9 N Y N 0 3.264 0.229 2.006
10 C10 C C10 N Y N 0 2.477 -1.966 2.55
11 C11 C C11 N Y N 0 4.517 -0.102 2.487
12 C12 C C12 N Y N 0 3.73 -2.296 3.031
13 C13 C C13 N Y N 0 4.751 -1.365 2.997
14 C14 C C14 N N N 0 -1.585 -1.404 0.203
15 C15 C C15 N N N 0 -3.243 -1.699 -1.695
16 C16 C C16 N N N 0 -3.619 -3.181 -1.644
17 C17 C C17 N Y N 0 -3.886 1.249 0.392
18 C18 C C18 N Y N 0 -4.494 1.919 -0.654
19 C19 C C19 N Y N 0 -4.329 3.283 -0.791
20 C20 C C20 N Y N 0 -3.552 3.982 0.124
21 C21 C C21 N Y N 0 -2.943 3.306 1.174
22 C22 C C22 N Y N 0 -3.112 1.941 1.304
23 C23 C C23 N N N 0 -4.914 -3.351 -0.848
24 C24 C C24 N N N 0 -3.822 -3.705 -3.067
25 C25 C C25 N N N 0 7.356 1.05 -2.361
26 N1 N N1 N N N 0 1.735 0.166 -0.723
27 N2 N N2 N N N 0 -2.933 -1.226 -0.344
28 N3 N N3 N N N 0 -3.383 5.362 -0.011
29 O1 O O1 N N N 0 3.888 0.579 -1.524
30 O2 O O2 N N N 0 3.415 -1.232 -0.331
31 O3 O O3 N N N 0 -1.008 0.911 -0.182
32 O4 O O4 N N N 0 -3.812 -0.798 1.922
33 O5 O O5 N N N 0 -5.346 -0.803 -0.051
34 O6 O O6 N N N 0 7.107 1.543 -1.027
35 S1 S S1 N N N 0 -4.105 -0.491 0.566
36 H11A H H11A N N N 0 5.457 1.285 0.211
37 H12A H H12A N N N 0 6.566 -0.112 0.108
38 H21A H H21A N N N 0 5.999 -0.072 -3.662
39 H22A H H22A N N N 0 5.42 1.574 -3.241
40 H4 H H4 N N N 0 5.306 -0.967 -1.606
41 H5 H H5 N N N 0 1.06 -1.729 -0.13
42 H6 H H6 N N N 0 -0.66 -0.587 -1.562
43 H71 H H71 N N N 0 0.705 0.723 1.651
44 H72 H H72 N N N 0 0.121 -0.91 2.052
45 H9 H H9 N N N 0 3.082 1.216 1.607
46 H10 H H10 N N N 0 1.679 -2.693 2.577
47 H11 H H11 N N N 0 5.314 0.627 2.464
48 H12 H H12 N N N 0 3.911 -3.282 3.434
49 H13 H H13 N N N 0 5.73 -1.624 3.373
50 H141 H H141 N N N 0 -1.254 -2.428 0.027
51 H142 H H142 N N N 0 -1.599 -1.206 1.275
52 H151 H H151 N N N 0 -2.371 -1.567 -2.336
53 H152 H H152 N N N 0 -4.079 -1.126 -2.097
54 H16 H H16 N N N 0 -2.819 -3.742 -1.16
55 H18 H H18 N N N 0 -5.097 1.375 -1.366
56 H19 H H19 N N N 0 -4.803 3.806 -1.608
57 H21 H H21 N N N 0 -2.338 3.846 1.887
58 H22 H H22 N N N 0 -2.639 1.415 2.12
59 H231 H H231 N N N 0 -5.714 -2.79 -1.331
60 H232 H H232 N N N 0 -5.182 -4.407 -0.811
61 H233 H H233 N N N 0 -4.77 -2.978 0.166
62 H241 H H241 N N N 0 -2.898 -3.584 -3.634
63 H242 H H242 N N N 0 -4.089 -4.761 -3.03
64 H243 H H243 N N N 0 -4.621 -3.145 -3.55
65 H251 H H251 N N N 0 7.993 0.166 -2.331
66 H252 H H252 N N N 0 7.805 1.827 -2.98
67 HN1 H HN1 N N N 0 1.426 0.99 -1.13
68 HN31 H HN31 N N N 0 -3.808 5.833 -0.744
69 HN32 H HN32 N N N 0 -2.84 5.849 0.629
70 HO3 H HO3 N N N 0 -0.933 1.14 0.754