Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 989

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 O22 O O22 N N N 0 2.615 3.026 -4.344
2 C21 C C21 N N N 0 1.92 2.14 -3.608
3 O23 O O23 N N N 0 1.751 2.336 -2.423
4 C18 C C18 N N N 0 1.357 0.916 -4.249
5 O20 O O20 N N N 0 1.526 0.72 -5.435
6 N17 N N17 N N N 0 0.661 0.028 -3.512
7 C19 C C19 N Y N 0 0.136 -1.113 -4.11
8 C28 C C28 N Y N 0 0.815 -2.322 -4.024
9 C27 C C27 N Y N 0 0.292 -3.453 -4.617
10 C26 C C26 N Y N 0 -0.909 -3.393 -5.303
11 C25 C C25 N Y N 0 -1.597 -2.203 -5.4
12 C24 C C24 N Y N 0 -1.084 -1.051 -4.799
13 C33 C C33 N N N 0 -1.815 0.225 -4.899
14 O34 O O34 N N N 0 -1.314 1.246 -4.472
15 O35 O O35 N N N 0 -3.038 0.259 -5.463
16 C10 C C10 N Y N 0 0.467 0.253 -2.149
17 C9 C C9 N Y N 0 -0.693 0.847 -1.7
18 C8 C C8 N Y N 0 -0.896 1.077 -0.343
19 C7 C C7 N Y N 0 0.041 0.722 0.577
20 C3 C C3 N Y N 0 1.24 0.119 0.161
21 C4 C C4 N Y N 0 1.457 -0.124 -1.216
22 C5 C C5 N Y N 0 2.653 -0.731 -1.629
23 C6 C C6 N Y N 0 3.586 -1.082 -0.702
24 C1 C C1 N Y N 0 3.372 -0.848 0.654
25 C2 C C2 N Y N 0 2.224 -0.261 1.091
26 C36 C C36 N N N 0 -0.203 0.982 2.041
27 C37 C C37 S N N 0 -0.902 -0.227 2.664
28 N41 N N41 N N N 0 -2.181 -0.454 1.987
29 C61 C C61 N N N 0 -3.127 0.506 1.994
30 O66 O O66 N N N 0 -2.918 1.558 2.56
31 C62 C C62 N N N 0 -4.443 0.273 1.298
32 C40 C C40 N N N 0 -1.147 0.032 4.128
33 O43 O O43 N N N 0 -2.18 0.557 4.486
34 N44 N N44 N N N 0 -0.218 -0.318 5.04
35 C45 C C45 N N N 0 -0.457 -0.065 6.463
36 C46 C C46 N N N 0 0.743 -0.555 7.276
37 C49 C C49 N N N 0 0.494 -0.291 8.762
38 C52 C C52 N N N 0 1.694 -0.781 9.575
39 C55 C C55 N N N 0 1.445 -0.517 11.061
40 H22 H H22 N N N 0 2.98 3.819 -3.928
41 H28 H H28 N N N 0 1.753 -2.377 -3.491
42 H27 H H27 N N N 0 0.824 -4.39 -4.547
43 H26 H H26 N N N 0 -1.309 -4.284 -5.764
44 H25 H H25 N N N 0 -2.534 -2.162 -5.937
45 H35 H H35 N N N 0 -3.517 1.096 -5.528
46 H9 H H9 N N N 0 -1.453 1.138 -2.411
47 H8 H H8 N N N 0 -1.813 1.544 -0.015
48 H5 H H5 N N N 0 2.832 -0.919 -2.678
49 H6 H H6 N N N 0 4.505 -1.549 -1.022
50 H1 H H1 N N N 0 4.128 -1.136 1.37
51 H37 H H37 N N N 0 -0.27 -1.108 2.552
52 H2 H H2 N N N 0 2.071 -0.086 2.145
53 H361 H 1H36 N N N 0 -0.834 1.864 2.153
54 H362 H 2H36 N N N 0 0.748 1.151 2.545
55 H41 H H41 N N N 0 -2.348 -1.295 1.535
56 H621 H 1H62 N N N 0 -5.074 1.154 1.41
57 H622 H 2H62 N N N 0 -4.265 0.085 0.239
58 H623 H 3H62 N N N 0 -4.941 -0.589 1.742
59 H44 H H44 N N N 0 0.607 -0.738 4.753
60 H451 H 1H45 N N N 0 -1.353 -0.598 6.781
61 H452 H 2H45 N N N 0 -0.593 1.003 6.624
62 H461 H 1H46 N N N 0 1.639 -0.022 6.957
63 H462 H 2H46 N N N 0 0.879 -1.624 7.114
64 H491 H 1H49 N N N 0 -0.401 -0.823 9.081
65 H492 H 2H49 N N N 0 0.358 0.778 8.923
66 H521 H 1H52 N N N 0 2.59 -0.248 9.256
67 H522 H 2H52 N N N 0 1.83 -1.85 9.414
68 H551 H 1H55 N N N 0 2.3 -0.865 11.64
69 H552 H 2H55 N N N 0 1.309 0.552 11.223
70 H553 H 3H55 N N N 0 0.549 -1.049 11.38