Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 0CA

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 74


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C11 C C11 N Y N 0 1.489 0.603 -0.469
2 C12 C C12 N Y N 0 0.223 0.743 -1.011
3 C13 C C13 N Y N 0 1.186 2.604 0.839
4 C14 C C14 N Y N 0 1.974 1.523 0.449
5 C16 C C16 N Y N 0 -2.189 3.352 -0.331
6 C17 C C17 N Y N 0 -1.173 3.733 0.464
7 C18 C C18 N Y N 0 -0.105 2.752 0.291
8 C19 C C19 N Y N 0 -0.583 1.812 -0.639
9 C2 C C2 N N N 0 5.273 -2.243 0.521
10 C20 C C20 N N N 0 -2.717 1.504 -1.949
11 C21 C C21 N N N 0 -3.502 4.08 -0.467
12 C22 C C22 N Y N 0 -3.459 0.402 -1.237
13 C23 C C23 N Y N 0 -4.748 0.638 -0.762
14 C24 C C24 N Y N 0 -5.445 -0.335 -0.114
15 C25 C C25 N Y N 0 -2.86 -0.808 -1.066
16 C26 C C26 N Y N 0 -3.55 -1.838 -0.401
17 C27 C C27 N Y N 0 -4.861 -1.598 0.081
18 C28 C C28 N Y N 0 -5.557 -2.624 0.747
19 C29 C C29 N Y N 0 -4.971 -3.835 0.925
20 C3 C C3 N N N 0 3.955 -2.07 -0.24
21 C30 C C30 N Y N 0 -3.672 -4.085 0.451
22 C31 C C31 N Y N 0 -2.962 -3.097 -0.208
23 C32 C C32 N N N 0 -3.056 -5.414 0.664
24 C35 C C35 N N N 0 1.695 3.58 1.818
25 C38 C C38 N N N 0 -3.898 4.673 0.887
26 C39 C C39 N N N 0 -3.357 5.205 -1.493
27 C4 C C4 N N N 0 3.513 -0.607 -0.161
28 C5 C C5 N N N 0 4.571 0.283 -0.818
29 C6 C C6 N N N 0 5.896 0.137 -0.064
30 C7 C C7 N N N 0 7.481 -1.715 -0.446
31 C8 C C8 N N N 0 7.834 -3.178 -0.384
32 H1 H H1 N N N 0 2.964 1.401 0.863
33 H10 H H10 N N N 0 5.642 -3.26 0.387
34 H11 H H11 N N N 0 4.097 -2.351 -1.283
35 H12 H H12 N N N 0 3.191 -2.705 0.208
36 H13 H H13 N N N 0 3.395 -0.319 0.884
37 H14 H H14 N N N 0 4.707 -0.02 -1.856
38 H15 H H15 N N N 0 4.244 1.323 -0.783
39 H16 H H16 N N N 0 6.676 0.691 -0.586
40 H17 H H17 N N N 0 5.785 0.525 0.949
41 H19 H H19 N N N 0 -1.964 -3.294 -0.57
42 H2 H H2 N N N 0 -4.271 3.383 -0.798
43 H20 H H20 N N N 0 -1.446 -6.52 0.371
44 H21 H H21 N N N 0 -4.656 -6.227 1.642
45 H22 H H22 N N N 0 -3.354 -7.273 1.459
46 H23 H H23 N N N 0 -5.511 -4.618 1.438
47 H24 H H24 N N N 0 -6.556 -2.447 1.117
48 H25 H H25 N N N 0 -2.107 1.075 -2.745
49 H26 H H26 N N N 0 -3.433 2.205 -2.378
50 H27 H H27 N N N 0 -3.129 5.37 1.218
51 H28 H H28 N N N 0 -4.848 5.199 0.789
52 H29 H H29 N N N 0 -4.001 3.871 1.618
53 H3 H H3 N N N 0 -5.2 1.607 -0.911
54 H30 H H30 N N N 0 -2.534 5.858 -1.203
55 H31 H H31 N N N 0 -3.153 4.777 -2.475
56 H32 H H32 N N N 0 -4.281 5.782 -1.533
57 H33 H H33 N N N 0 -1.151 4.6 1.108
58 H34 H H34 N N N 0 3.217 4.095 2.98
59 H35 H H35 N N N 0 -0.14 0.019 -1.725
60 H37 H H37 N N N 0 8.842 -3.326 -0.772
61 H38 H H38 N N N 0 7.788 -3.52 0.65
62 H39 H H39 N N N 0 7.126 -3.749 -0.986
63 H4 H H4 N N N 0 -6.444 -0.137 0.248
64 H5 H H5 N N N 0 -1.861 -0.977 -1.439
65 H6 H H6 N N N 0 9.203 -1.166 -1.22
66 H9 H H9 N N N 0 5.112 -2.049 1.582
67 N1 N N1 N N N 0 6.255 -1.287 -0.01
68 N15 N N15 N Y N 0 -1.854 2.207 -0.997
69 N33 N N33 N N N 0 -1.849 -5.649 0.232
70 N34 N N34 N N N 0 -3.758 -6.402 1.32
71 N9 N N9 N N N 0 8.335 -0.863 -0.912
72 O10 O O10 N N N 0 2.267 -0.448 -0.842
73 O36 O O36 N N N 0 2.927 3.429 2.342
74 O37 O O37 N N N 0 1.003 4.521 2.153