Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PQN

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 79


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 1.378 -1.417 -6.211
2 O1 O O1 N N N 0 1.818 -2.451 -6.673
3 C2 C C2 N N N 0 -0.078 -1.23 -6.067
4 C2M C C2M N N N 0 -1.013 -2.331 -6.497
5 C3 C C3 N N N 0 -0.58 -0.096 -5.561
6 C4 C C4 N N N 0 0.307 1.002 -5.137
7 O4 O O4 N N N 0 -0.163 2.026 -4.684
8 C5 C C5 N Y N 0 1.773 0.85 -5.259
9 C6 C C6 N Y N 0 2.631 1.868 -4.861
10 C7 C C7 N Y N 0 4.001 1.703 -4.992
11 C8 C C8 N Y N 0 4.52 0.534 -5.515
12 C9 C C9 N Y N 0 3.676 -0.49 -5.916
13 C10 C C10 N Y N 0 2.3 -0.34 -5.791
14 C11 C C11 N N N 0 -2.073 0.06 -5.429
15 C12 C C12 N N N 0 -2.514 -0.444 -4.079
16 C13 C C13 N N N 0 -3.21 0.33 -3.285
17 C14 C C14 N N N 0 -3.678 1.679 -3.768
18 C15 C C15 N N N 0 -3.544 -0.126 -1.889
19 C16 C C16 N N N 0 -2.437 0.315 -0.929
20 C17 C C17 N N N 0 -2.776 -0.148 0.488
21 C18 C C18 R N N 0 -1.669 0.293 1.447
22 C19 C C19 N N N 0 -0.339 -0.325 1.012
23 C20 C C20 N N N 0 -2.008 -0.17 2.865
24 C21 C C21 N N N 0 -0.901 0.271 3.825
25 C22 C C22 N N N 0 -1.24 -0.192 5.243
26 C23 C C23 R N N 0 -0.133 0.249 6.202
27 C24 C C24 N N N 0 1.196 -0.369 5.767
28 C25 C C25 N N N 0 -0.472 -0.214 7.62
29 C26 C C26 N N N 0 0.634 0.227 8.58
30 C27 C C27 N N N 0 0.295 -0.236 9.998
31 C28 C C28 N N N 0 1.402 0.205 10.957
32 C29 C C29 N N N 0 1.063 -0.258 12.375
33 C30 C C30 N N N 0 2.732 -0.413 10.522
34 H2M1 H 1H2M N N N 0 -0.434 -3.171 -6.881
35 H2M2 H 2H2M N N N 0 -1.606 -2.658 -5.643
36 H2M3 H 3H2M N N N 0 -1.677 -1.96 -7.278
37 H6 H H6 N N N 0 2.232 2.784 -4.452
38 H7 H H7 N N N 0 4.669 2.494 -4.683
39 H8 H H8 N N N 0 5.589 0.417 -5.611
40 H9 H H9 N N N 0 4.087 -1.402 -6.323
41 H111 H 1H11 N N N 0 -2.569 -0.512 -6.212
42 H112 H 2H11 N N N 0 -2.337 1.113 -5.527
43 H12 H H12 N N N 0 -2.256 -1.445 -3.767
44 H141 H 1H14 N N N 0 -4.312 2.137 -3.01
45 H142 H 2H14 N N N 0 -2.814 2.317 -3.954
46 H143 H 3H14 N N N 0 -4.245 1.557 -4.691
47 H151 H 1H15 N N N 0 -3.626 -1.213 -1.872
48 H152 H 2H15 N N N 0 -4.491 0.314 -1.579
49 H161 H 1H16 N N N 0 -2.355 1.402 -0.946
50 H162 H 2H16 N N N 0 -1.49 -0.125 -1.239
51 H171 H 1H17 N N N 0 -2.858 -1.235 0.504
52 H172 H 2H17 N N N 0 -3.723 0.292 0.798
53 H18 H H18 N N N 0 -1.587 1.38 1.431
54 H191 H 1H19 N N N 0 -0.422 -1.412 1.029
55 H192 H 2H19 N N N 0 -0.098 0.005 0.002
56 H193 H 3H19 N N N 0 0.448 -0.01 1.696
57 H201 H 1H20 N N N 0 -2.09 -1.257 2.882
58 H202 H 2H20 N N N 0 -2.955 0.27 3.175
59 H211 H 1H21 N N N 0 -0.819 1.358 3.808
60 H212 H 2H21 N N N 0 0.045 -0.169 3.515
61 H221 H 1H22 N N N 0 -1.322 -1.279 5.259
62 H222 H 2H22 N N N 0 -2.187 0.248 5.553
63 H23 H H23 N N N 0 -0.051 1.336 6.186
64 H241 H 1H24 N N N 0 1.113 -1.456 5.783
65 H242 H 2H24 N N N 0 1.437 -0.038 4.757
66 H243 H 3H24 N N N 0 1.984 -0.054 6.45
67 H251 H 1H25 N N N 0 -0.554 -1.301 7.637
68 H252 H 2H25 N N N 0 -1.419 0.226 7.93
69 H261 H 1H26 N N N 0 0.716 1.314 8.563
70 H262 H 2H26 N N N 0 1.581 -0.213 8.269
71 H271 H 1H27 N N N 0 0.213 -1.323 10.014
72 H272 H 2H27 N N N 0 -0.651 0.204 10.308
73 H28 H H28 N N N 0 1.484 1.292 10.94
74 H291 H 1H29 N N N 0 1.852 0.056 13.058
75 H292 H 2H29 N N N 0 0.116 0.182 12.685
76 H293 H 3H29 N N N 0 0.981 -1.345 12.392
77 H301 H 1H30 N N N 0 2.649 -1.5 10.538
78 H302 H 2H30 N N N 0 2.973 -0.082 9.511
79 H303 H 3H30 N N N 0 3.52 -0.098 11.205