Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CQ5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 71


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N N N1 N N N 0 3.476 0.689 -0.951
2 C C C1 N N N 0 3.723 2.605 0.4
3 O O O1 N N N 0 1.904 3.971 0.548
4 O2 O O2 N N N 0 -3.356 -2.015 0.804
5 C16 C C2 N N N 0 -3.645 -0.848 0.643
6 C17 C C3 N N N 0 -5.062 -0.462 0.307
7 C18 C C4 R N N 0 -5.929 -1.721 0.228
8 C25 C C5 N N N 0 -6.004 -2.375 1.609
9 C19 C C6 N Y N 0 -7.316 -1.348 -0.227
10 C24 C C7 N Y N 0 -8.073 -0.462 0.516
11 C23 C C8 N Y N 0 -9.345 -0.12 0.098
12 C22 C C9 N Y N 0 -9.861 -0.663 -1.063
13 C21 C C10 N Y N 0 -9.104 -1.548 -1.807
14 C20 C C11 N Y N 0 -7.829 -1.887 -1.392
15 N4 N N2 N N N 0 -2.698 0.103 0.765
16 C13 C C12 N N N 0 -3.034 1.521 0.58
17 C12 C C13 N N N 0 -2.088 2.119 -0.467
18 C14 C C14 N N N 0 -1.312 -0.258 1.092
19 C15 C C15 N N N 0 -0.381 0.356 0.042
20 C5 C C16 N N N 0 -0.639 1.866 -0.043
21 O1 O O3 N N N 0 -0.409 2.454 1.239
22 C4 C C17 N N N 0 0.309 2.492 -1.068
23 N1 N N3 N N N 0 1.692 2.149 -0.727
24 C3 C C18 N N N 0 2.402 2.955 0.089
25 C2 C C19 N N N 0 2.248 1.029 -1.23
26 C1 C C20 N N N 0 4.243 1.443 -0.146
27 N2 N N4 N N N 0 5.539 1.062 0.135
28 C6 C C21 N N N 0 6.083 -0.168 -0.445
29 C7 C C22 N N N 0 7.528 -0.356 0.022
30 N3 N N5 N N N 0 8.074 -1.59 -0.56
31 C11 C C23 N N N 0 9.527 -1.685 -0.33
32 C10 C C24 N N N 0 9.787 -3.013 0.411
33 C9 C C25 N N N 0 8.538 -3.862 0.056
34 C8 C C26 N N N 0 7.426 -2.783 0.025
35 H1 H H1 N N N 0 4.322 3.226 1.049
36 H2 H H2 N N N 0 -5.452 0.199 1.081
37 H3 H H3 N N N 0 -5.081 0.052 -0.654
38 H4 H H4 N N N 0 -5.489 -2.421 -0.482
39 H5 H H5 N N N 0 -6.621 -3.272 1.553
40 H6 H H6 N N N 0 -5.001 -2.645 1.939
41 H7 H H7 N N N 0 -6.444 -1.675 2.319
42 H8 H H8 N N N 0 -7.67 -0.037 1.424
43 H9 H H9 N N N 0 -9.937 0.572 0.68
44 H10 H H10 N N N 0 -10.855 -0.396 -1.389
45 H11 H H11 N N N 0 -9.506 -1.974 -2.715
46 H12 H H12 N N N 0 -7.236 -2.576 -1.975
47 H13 H H13 N N N 0 -4.064 1.611 0.235
48 H14 H H14 N N N 0 -2.915 2.052 1.525
49 H15 H H15 N N N 0 -2.271 1.65 -1.433
50 H16 H H16 N N N 0 -2.262 3.192 -0.544
51 H17 H H17 N N N 0 -1.056 0.131 2.078
52 H21 H H21 N N N 0 0.491 2.333 1.572
53 H18 H H18 N N N 0 -1.206 -1.343 1.086
54 H19 H H19 N N N 0 0.656 0.177 0.325
55 H20 H H20 N N N 0 -0.577 -0.101 -0.929
56 H22 H H22 N N N 0 0.073 2.11 -2.061
57 H23 H H23 N N N 0 0.19 3.576 -1.058
58 H24 H H24 N N N 0 1.663 0.397 -1.881
59 H25 H H25 N N N 0 6.09 1.609 0.716
60 H26 H H26 N N N 0 5.483 -1.019 -0.123
61 H27 H H27 N N N 0 6.059 -0.098 -1.533
62 H28 H H28 N N N 0 8.128 0.494 -0.301
63 H29 H H29 N N N 0 7.552 -0.426 1.109
64 H31 H H31 N N N 0 10.054 -1.683 -1.284
65 H32 H H32 N N N 0 9.861 -0.845 0.28
66 H33 H H33 N N N 0 10.695 -3.49 0.041
67 H34 H H34 N N N 0 9.851 -2.848 1.487
68 H35 H H35 N N N 0 8.651 -4.334 -0.919
69 H36 H H36 N N N 0 8.339 -4.606 0.828
70 H37 H H37 N N N 0 7.076 -2.569 1.034
71 H38 H H38 N N N 0 6.597 -3.111 -0.603