Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : QGS

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 62


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -3.094 3.13 0.401
2 C2 C C2 N Y N 0 -4.345 3.571 0.198
3 C11 C C3 N Y N 0 -0.294 -0.598 -0.478
4 C12 C C4 N Y N 0 -0.52 -1.963 -0.435
5 C13 C C5 S N N 0 -1.446 0.348 -0.701
6 C14 C C6 N N N 0 0.278 -4.321 -0.179
7 C15 C C7 N Y N 0 -4.898 -0.017 0.22
8 C16 C C8 N Y N 0 -6.268 -0.182 0.021
9 C17 C C9 N Y N 0 -7.092 0.918 -0.132
10 C18 C C10 N Y N 0 -6.57 2.195 -0.104
11 C19 C C11 N N N 0 1.083 -5.01 -1.283
12 C20 C C12 N N N 0 0.708 -4.87 1.183
13 C21 C C13 N Y N 0 4.934 1.406 0.201
14 C22 C C14 N Y N 0 6.002 0.54 0.409
15 C23 C C15 N Y N 0 5.764 -0.833 0.443
16 C24 C C16 N Y N 0 4.488 -1.323 0.279
17 C25 C C17 N Y N 0 3.421 -0.449 0.078
18 C26 C C18 N Y N 0 3.657 0.924 0.035
19 C27 C C19 S N N 0 5.497 2.814 0.203
20 C28 C C20 N N N 0 7.012 2.552 0.027
21 N3 N N1 N Y N 0 -3.083 1.761 0.44
22 C4 C C21 N Y N 0 -4.354 1.278 0.265
23 C5 C C22 N Y N 0 -5.203 2.386 0.099
24 C6 C C23 N N N 0 -1.89 0.936 0.64
25 C7 C C24 N Y N 0 0.532 -2.836 -0.225
26 C8 C C25 N Y N 0 1.813 -2.35 -0.058
27 C9 C C26 N Y N 0 2.046 -0.977 -0.101
28 C10 C C27 N Y N 0 0.982 -0.102 -0.312
29 O29 O O1 N N N 0 7.169 1.225 0.557
30 N30 N N2 N N N 0 4.965 3.594 -0.922
31 O31 O O2 N N N 0 -1.034 1.403 -1.571
32 C32 C C28 N N N 0 -4.025 -1.194 0.383
33 O33 O O3 N N N 0 -3.984 -2.14 -0.576
34 O34 O O4 N N N 0 -3.343 -1.311 1.381
35 H1 H H1 N N N 0 -2.225 3.761 0.512
36 H2 H H2 N N N 0 -4.66 4.601 0.122
37 H3 H H3 N N N 0 -1.521 -2.347 -0.565
38 H4 H H4 N N N 0 -2.278 -0.193 -1.154
39 H5 H H5 N N N 0 -0.784 -4.513 -0.33
40 H6 H H6 N N N 0 -6.688 -1.176 -0.014
41 H7 H H7 N N N 0 -8.151 0.776 -0.287
42 H8 H H8 N N N 0 -7.223 3.047 -0.225
43 H9 H H9 N N N 0 0.9 -6.084 -1.25
44 H10 H H10 N N N 0 0.777 -4.619 -2.254
45 H11 H H11 N N N 0 2.145 -4.818 -1.133
46 H12 H H12 N N N 0 0.135 -4.379 1.969
47 H13 H H13 N N N 0 0.525 -5.944 1.216
48 H14 H H14 N N N 0 1.77 -4.677 1.334
49 H15 H H15 N N N 0 6.585 -1.516 0.599
50 H16 H H16 N N N 0 4.313 -2.389 0.307
51 H17 H H17 N N N 0 2.836 1.61 -0.12
52 H18 H H18 N N N 0 5.296 3.313 1.151
53 H19 H H19 N N N 0 7.289 2.583 -1.026
54 H20 H H20 N N N 0 7.597 3.269 0.603
55 H21 H H21 N N N 0 -2.12 0.127 1.333
56 H22 H H22 N N N 0 -1.088 1.549 1.051
57 H23 H H23 N N N 0 2.634 -3.033 0.105
58 H24 H H24 N N N 0 1.157 0.964 -0.347
59 H25 H H25 N N N 0 5.339 4.531 -0.922
60 H26 H H26 N N N 0 5.148 3.132 -1.801
61 H28 H H28 N N N 0 -0.296 1.928 -1.231
62 H29 H H29 N N N 0 -3.397 -2.893 -0.425