Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 2S0

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 72


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 -3.427 -0.661 -1.524
2 C2 C C2 N N N 0 -4.33 -1.824 -1.947
3 C3 C C3 N N N 0 -5.259 -2.189 -0.821
4 C4 C C4 N N N 0 -4.84 -2.13 0.52
5 C5 C C5 N N N 0 -3.642 -1.595 0.842
6 C6 C C6 N N N 0 -3.134 -1.587 2.263
7 C7 C C7 N N N 0 -1.658 -1.984 2.23
8 C8 C C8 S N N 0 -0.846 -1.048 1.352
9 C9 C C9 N N N 0 -1.513 -0.729 0.038
10 C10 C C10 N N N 0 -2.797 -0.997 -0.191
11 C11 C C11 R N N 0 -0.731 -0.049 -1.067
12 C12 C C12 N N N 0 0.669 -0.666 -1.206
13 C13 C C13 S N N 0 1.299 -0.668 0.176
14 C14 C C14 S N N 0 0.504 -1.681 1.042
15 C15 C C15 N N N 0 1.423 -1.84 2.261
16 C16 C C16 N N N 0 2.839 -1.895 1.629
17 C17 C C17 R N N 0 2.738 -1.173 0.247
18 C18 C C18 N N N 0 1.207 0.73 0.791
19 C20 C C20 N N N 0 3.71 -0.023 0.186
20 C21 C C21 N N N 0 4.207 0.474 -1.146
21 O3 O O3 N N N 0 -6.394 -2.541 -1.075
22 O20 O O20 N N N 0 4.09 0.5 1.206
23 C32 C C32 N Y N 0 -0.596 1.418 -0.75
24 C33 C C33 N Y N 0 -1.408 1.993 0.211
25 C34 C C34 N Y N 0 -1.288 3.337 0.504
26 C35 C C35 N Y N 0 -0.349 4.112 -0.166
27 C36 C C36 N Y N 0 0.465 3.531 -1.13
28 C37 C C37 N Y N 0 0.343 2.185 -1.415
29 N38 N N38 N N N 0 -0.225 5.471 0.128
30 C39 C C39 N N N 0 0.765 6.287 -0.58
31 C40 C C40 N N N 0 -1.085 6.082 1.145
32 C31 C C31 N N N 0 4.59 -3.607 -1.986
33 C30 C C30 N N N 0 4.22 -2.677 -0.86
34 O30 O O30 N N N 0 5.018 -2.44 0.015
35 O17 O O17 N N N 0 3.003 -2.111 -0.83
36 H1 H H1 N N N 0 -2.646 -0.515 -2.271
37 H2 H H2 N N N 0 -4.916 -1.528 -2.817
38 H3 H H3 N N N 0 -5.481 -2.514 1.299
39 H4 H H4 N N N 0 -3.238 -0.588 2.687
40 H5 H H5 N N N 0 -3.697 -2.303 2.861
41 H6 H H6 N N N 0 -1.26 -1.956 3.245
42 H7 H H7 N N N 0 -1.571 -3.0 1.844
43 H8 H H8 N N N 0 -0.67 -0.119 1.894
44 H10 H H10 N N N 0 -1.267 -0.163 -2.009
45 H11 H H11 N N N 0 0.589 -1.687 -1.579
46 H12 H H12 N N N 0 1.273 -0.068 -1.889
47 H13 H H13 N N N 0 0.379 -2.625 0.512
48 H14 H H14 N N N 0 1.331 -0.982 2.927
49 H15 H H15 N N N 0 1.199 -2.764 2.793
50 H16 H H16 N N N 0 3.554 -1.377 2.268
51 H17 H H17 N N N 0 3.145 -2.931 1.487
52 H18 H H18 N N N 0 0.167 0.954 1.031
53 H19 H H19 N N N 0 1.805 0.766 1.702
54 H20 H H20 N N N 0 1.583 1.466 0.08
55 H21 H H21 N N N 0 3.691 -0.056 -1.947
56 H22 H H22 N N N 0 4.01 1.543 -1.232
57 H23 H H23 N N N 0 5.28 0.295 -1.224
58 H25 H H25 N N N 0 -2.138 1.391 0.731
59 H26 H H26 N N N 0 -1.922 3.786 1.254
60 H27 H H27 N N N 0 1.195 4.13 -1.653
61 H28 H H28 N N N 0 0.978 1.732 -2.161
62 H29 H H29 N N N 0 0.313 6.709 -1.477
63 H30 H H30 N N N 0 1.104 7.093 0.071
64 H31 H H31 N N N 0 1.615 5.664 -0.859
65 H32 H H32 N N N 0 -0.601 6.014 2.119
66 H33 H H33 N N N 0 -1.254 7.13 0.896
67 H34 H H34 N N N 0 -2.04 5.558 1.176
68 H35 H H35 N N N 0 3.75 -3.698 -2.674
69 H36 H H36 N N N 0 5.454 -3.208 -2.518
70 H37 H H37 N N N 0 4.835 -4.589 -1.581
71 H38 H H38 N N N 0 -4.02 0.249 -1.432
72 H39 H H39 N N N 0 -3.715 -2.687 -2.2