Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 7CA

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 69


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 2.821 5.372 -0.196
2 O1 O O1 N N N 0 3.213 4.424 -1.19
3 C2 C C2 N Y N 0 2.375 3.361 -1.07
4 C3 C C3 N Y N 0 2.517 2.269 -1.917
5 C4 C C4 N Y N 0 1.669 1.189 -1.799
6 C5 C C5 N Y N 0 1.382 3.368 -0.098
7 C6 C C6 N Y N 0 0.527 2.296 0.023
8 C7 C C7 N Y N 0 0.665 1.194 -0.826
9 C8 C C8 N Y N 0 -0.245 0.041 -0.697
10 O2 O O2 N Y N 0 -1.567 0.267 -0.618
11 C9 C C9 N Y N 0 0.287 -1.213 -0.655
12 C10 C C10 N Y N 0 -0.576 -2.332 -0.53
13 C11 C C11 N Y N 0 -2.021 -2.068 -0.451
14 C12 C C12 N Y N 0 -2.464 -0.735 -0.503
15 O3 O O3 N N N 0 -0.136 -3.47 -0.49
16 C13 C C13 N Y N 0 -2.946 -3.114 -0.326
17 C14 C C14 N Y N 0 -4.295 -2.825 -0.255
18 C15 C C15 N Y N 0 -4.731 -1.505 -0.307
19 C16 C C16 N Y N 0 -3.823 -0.465 -0.43
20 O4 O O4 N N N 0 -2.519 -4.401 -0.275
21 O10 O O10 N N N 0 -6.059 -1.232 -0.236
22 C17 C C17 N N N 0 -4.311 0.959 -0.484
23 C18 C C18 N N N 0 -4.382 1.529 0.934
24 C19 C C19 N N N 0 -4.878 2.975 0.879
25 C20 C C20 N N N 0 -6.317 3.001 0.361
26 C21 C C21 N N N 0 -4.83 3.584 2.282
27 O5 O O5 N N N 0 1.634 -1.39 -0.733
28 C22 C C22 S N N 0 2.044 -1.985 0.5
29 O6 O O6 N N N 0 2.073 -0.99 1.521
30 C23 C C23 R N N 0 3.437 -2.595 0.332
31 O7 O O7 N N N 0 3.864 -3.166 1.571
32 C24 C C24 R N N 0 4.417 -1.496 -0.09
33 O8 O O8 N N N 0 5.748 -2.016 -0.107
34 C25 C C25 R N N 0 4.327 -0.346 0.919
35 O9 O O9 N N N 0 5.121 0.752 0.466
36 C26 C C26 S N N 0 2.867 0.095 1.043
37 H13 H 3H1 N N N 0 2.908 4.921 0.792
38 C27 C C27 N N N 0 2.772 1.266 2.024
39 H11 H 1H1 N N N 0 3.469 6.247 -0.254
40 H12 H 2H1 N N N 0 1.788 5.673 -0.368
41 H3 H H3 N N N 0 3.292 2.266 -2.668
42 H14 H H14 N N N 0 -5.014 -3.625 -0.158
43 H4 H H4 N N N 0 1.779 0.34 -2.458
44 H5 H H5 N N N 0 1.276 4.22 0.558
45 H6 H H6 N N N 0 -0.247 2.304 0.776
46 HO4 H HO4 N N N 0 -2.37 -4.61 0.657
47 HO10 H HO10 N N N 0 -6.272 -1.119 0.7
48 H171 H 1H17 N N N 0 -3.623 1.557 -1.082
49 H172 H 2H17 N N N 0 -5.303 0.986 -0.936
50 H181 H 1H18 N N N 0 -5.07 0.931 1.532
51 H182 H 2H18 N N N 0 -3.39 1.502 1.386
52 H19 H H19 N N N 0 -4.24 3.553 0.21
53 H201 H 1H20 N N N 0 -6.955 2.423 1.03
54 H202 H 2H20 N N N 0 -6.67 4.031 0.321
55 H203 H 3H20 N N N 0 -6.351 2.567 -0.639
56 H211 H 1H21 N N N 0 -3.805 3.566 2.651
57 H212 H 2H21 N N N 0 -5.183 4.615 2.243
58 H213 H 3H21 N N N 0 -5.468 3.007 2.951
59 H22 H H22 N N N 0 1.337 -2.767 0.777
60 H23 H H23 N N N 0 3.405 -3.369 -0.435
61 HO7 H HO7 N N N 0 3.226 -3.858 1.794
62 H24 H H24 N N N 0 4.154 -1.133 -1.084
63 HO8 H HO8 N N N 0 5.759 -2.736 -0.753
64 H25 H H25 N N N 0 4.69 -0.683 1.89
65 HO9 H HO9 N N N 0 5.03 1.454 1.126
66 H26 H H26 N N N 0 2.499 0.41 0.066
67 H271 H 1H27 N N N 0 3.137 0.951 3.001
68 H272 H 2H27 N N N 0 3.378 2.095 1.659
69 H273 H 3H27 N N N 0 1.733 1.585 2.109