Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 0XA

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 O21 O O21 N N N 0 1.103 -1.735 1.688
2 C18 C C18 N N N 0 2.071 -1.092 1.331
3 C3 C C3 N Y N 0 3.247 -1.755 0.725
4 C2 C C2 N Y N 0 3.466 -3.121 0.925
5 N19 N N19 N N N 0 2.106 0.267 1.472
6 C20 C C20 S N N 0 0.816 0.925 1.784
7 C22 C C22 R N N 0 -0.276 0.377 0.863
8 O28 O O28 N N N 0 0.073 0.637 -0.498
9 C23 C C23 N N N 0 -1.606 1.059 1.187
10 N24 N N24 N N N 0 -2.673 0.467 0.369
11 C25 C C25 N N N 0 -3.968 1.098 0.655
12 C27 C C27 N N N 0 -3.885 2.594 0.344
13 C29 C C29 N Y N 0 -5.035 0.466 -0.201
14 O33 O O33 N Y N 0 -6.172 -0.083 0.247
15 C32 C C32 N Y N 0 -6.858 -0.537 -0.82
16 C34 C C34 N N N 0 -8.196 -1.229 -0.795
17 C37 C C37 N N N 0 -8.093 -2.51 0.034
18 C36 C C36 N N N 0 -9.239 -0.3 -0.17
19 C35 C C35 N N N 0 -8.617 -1.578 -2.224
20 C31 C C31 N Y N 0 -6.125 -0.256 -1.91
21 N30 N N30 N Y N 0 -5.007 0.368 -1.5
22 C26 C C26 N N N 0 -4.317 0.903 2.131
23 C16 C C16 N N N 0 0.97 2.431 1.559
24 O15 O O15 N N N 0 1.591 2.674 0.294
25 C14 C C14 N N N 0 2.509 3.771 0.3
26 C13 C C13 N N N 0 3.593 3.517 -0.718
27 C12 C C12 N N N 0 4.807 3.234 -0.317
28 C11 C C11 N N N 0 5.897 2.948 -1.317
29 C10 C C10 N N N 0 6.513 1.579 -1.011
30 C9 C C9 N N N 0 5.837 0.517 -1.875
31 C8 C C8 N N N 0 6.217 -0.862 -1.398
32 O17 O O17 N N N 0 7.292 -1.335 -1.699
33 C5 C C5 N Y N 0 5.279 -1.632 -0.565
34 C4 C C4 N Y N 0 4.152 -1.008 -0.025
35 C6 C C6 N Y N 0 5.506 -2.992 -0.322
36 C1 C C1 N Y N 0 4.595 -3.723 0.404
37 C7 C C7 N N N 0 4.84 -5.189 0.654
38 H1 H H1 N N N 0 2.754 -3.705 1.488
39 H2 H H2 N N N 0 2.928 0.772 1.373
40 H3 H H3 N N N 0 0.551 0.735 2.824
41 H4 H H4 N N N 0 -0.373 -0.698 1.014
42 H5 H H5 N N N 0 0.176 1.576 -0.705
43 H6 H H6 N N N 0 -1.838 0.919 2.243
44 H7 H H7 N N N 0 -1.531 2.124 0.97
45 H8 H H8 N N N 0 -2.72 -0.532 0.505
46 H10 H H10 N N N 0 -3.637 2.734 -0.708
47 H11 H H11 N N N 0 -4.846 3.063 0.556
48 H12 H H12 N N N 0 -3.113 3.052 0.963
49 H13 H H13 N N N 0 -7.794 -2.262 1.052
50 H14 H H14 N N N 0 -9.061 -3.011 0.052
51 H15 H H15 N N N 0 -7.35 -3.172 -0.412
52 H16 H H16 N N N 0 -9.313 0.613 -0.76
53 H17 H H17 N N N 0 -10.207 -0.8 -0.152
54 H18 H H18 N N N 0 -8.94 -0.051 0.848
55 H19 H H19 N N N 0 -7.874 -2.24 -2.67
56 H20 H H20 N N N 0 -9.585 -2.078 -2.206
57 H21 H H21 N N N 0 -8.69 -0.665 -2.815
58 H22 H H22 N N N 0 -6.388 -0.487 -2.932
59 H23 H H23 N N N 0 -3.545 1.36 2.751
60 H24 H H24 N N N 0 -5.278 1.372 2.343
61 H25 H H25 N N N 0 -4.376 -0.163 2.353
62 H26 H H26 N N N 0 -0.013 2.901 1.576
63 H27 H H27 N N N 0 1.586 2.854 2.352
64 H28 H H28 N N N 0 1.98 4.689 0.046
65 H29 H H29 N N N 0 2.954 3.868 1.29
66 H30 H H30 N N N 0 3.363 3.567 -1.771
67 H31 H H31 N N N 0 5.027 3.192 0.741
68 H32 H H32 N N N 0 5.476 2.941 -2.323
69 H33 H H33 N N N 0 6.666 3.718 -1.249
70 H34 H H34 N N N 0 7.58 1.602 -1.232
71 H35 H H35 N N N 0 6.364 1.34 0.042
72 H36 H H36 N N N 0 4.755 0.636 -1.812
73 H37 H H37 N N N 0 6.154 0.638 -2.911
74 H38 H H38 N N N 0 3.986 0.048 -0.181
75 H39 H H39 N N N 0 6.39 -3.47 -0.717
76 H40 H H40 N N N 0 5.403 -5.31 1.579
77 H41 H H41 N N N 0 3.886 -5.708 0.738
78 H42 H H42 N N N 0 5.41 -5.608 -0.176