Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 719

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 68


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 3.269 -1.483 -0.333
2 C2 C C2 R N N 0 3.02 -2.923 -0.225
3 C3 C C3 N Y N 0 4.497 -0.873 -0.385
4 C4 C C4 N Y N 0 4.242 0.504 -0.486
5 N5 N N5 N Y N 0 2.896 0.662 -0.49
6 C6 C C6 R N N 0 3.064 -3.352 1.254
7 C7 C C7 N Y N 0 -4.893 -0.763 -0.397
8 C8 C C8 N Y N 0 2.323 -0.504 -0.406
9 O9 O O9 N N N 0 1.706 -3.23 -0.721
10 C10 C C10 S N N 0 1.668 -3.972 1.511
11 C11 C C11 N Y N 0 -6.278 -0.56 -0.41
12 C12 C C12 N Y N 0 -4.037 0.31 -0.144
13 C13 C C13 R N N 0 1.2 -4.323 0.075
14 C14 C C14 N N N 0 -4.339 -2.109 -0.644
15 C18 C C18 N Y N 0 -5.945 1.77 0.08
16 N15 N N15 N Y N 0 5.757 -1.297 -0.361
17 C16 C C16 N Y N 0 -4.563 1.573 0.094
18 C17 C C17 N Y N 0 -6.796 0.71 -0.17
19 C19 C C19 N Y N 0 5.339 1.379 -0.557
20 N20 N N20 N Y N 0 6.563 0.863 -0.525
21 C21 C C21 N Y N 0 6.754 -0.44 -0.43
22 C22 C C22 N Y N 0 -3.655 2.715 0.363
23 C23 C C23 N N N 0 -0.304 -4.378 0.006
24 O24 O O24 N N N 0 -5.087 -3.043 -0.86
25 O25 O O25 N N N 0 4.089 -4.325 1.462
26 N26 N N26 N N N 0 -3.006 -2.302 -0.632
27 C27 C C27 N N N 0 -0.952 -3.583 -0.808
28 C28 C C28 N Y N 0 -4.179 3.984 0.602
29 O30 O O30 N N N 0 1.773 -5.149 2.315
30 C29 C C29 N Y N 0 -2.275 2.521 0.383
31 O31 O O31 N N N 0 -7.115 -1.6 -0.656
32 O32 O O32 N N N 0 -8.142 0.908 -0.183
33 C33 C C33 N Y N 0 -1.96 4.847 0.866
34 C34 C C34 N Y N 0 -3.331 5.043 0.852
35 C35 C C35 N Y N 0 -1.434 3.586 0.634
36 F36 F F36 N N N 0 -1.133 5.887 1.11
37 C37 C C37 N N N 0 -2.457 -3.638 -0.877
38 N38 N N38 N N N 0 5.15 2.747 -0.657
39 C39 C C39 N N N 0 6.306 3.643 -0.729
40 CA C CA N N N 0 5.823 5.091 -0.835
41 OB O OB N N N 0 5.139 5.453 0.366
42 H2 H H2 N N N 0 3.771 -3.472 -0.793
43 H6 H H6 N N N 0 3.221 -2.487 1.898
44 H8 H H8 N N N 0 1.257 -0.671 -0.393
45 H10 H H10 N N N 0 0.999 -3.246 1.972
46 H12 H H12 N N N 0 -2.968 0.158 -0.133
47 H13 H H13 N N N 0 1.635 -5.268 -0.25
48 H18 H H18 N N N 0 -6.351 2.753 0.266
49 H21 H H21 N N N 0 7.766 -0.817 -0.407
50 H23 H H23 N N N 0 -0.848 -5.073 0.628
51 HO25 H HO25 N N N 0 4.161 -4.631 2.377
52 HN26 H HN26 N N N 0 -2.409 -1.556 -0.46
53 H27 H H27 N N N 0 -0.408 -2.887 -1.43
54 H28 H H28 N N N 0 -5.248 4.138 0.591
55 H29 H H29 N N N 0 -1.865 1.539 0.203
56 HO30 H HO30 N N N 0 0.925 -5.574 2.503
57 HO31 H HO31 N N N 0 -7.392 -2.079 0.138
58 HO32 H HO32 N N N 0 -8.565 0.789 0.678
59 H34 H H34 N N N 0 -3.737 6.027 1.037
60 H35 H H35 N N N 0 -0.365 3.437 0.65
61 H37 H H37 N N N 0 -2.83 -4.328 -0.121
62 H37A H H37A N N N 0 -2.763 -3.98 -1.865
63 HN38 H HN38 N N N 0 4.251 3.111 -0.679
64 H39 H H39 N N N 0 6.913 3.527 0.169
65 H39A H H39A N N N 0 6.904 3.395 -1.607
66 HA H HA N N N 0 6.679 5.75 -0.978
67 HAA H HAA N N N 0 5.145 5.187 -1.682
68 HOB H HOB N N N 0 4.804 6.36 0.37