Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 348

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 67


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 -5.456 0.393 0.385
2 C3 C C3 N N N 0 -4.871 1.613 0.64
3 N2 N N2 N N N 0 -5.58 2.584 1.139
4 C4 C C4 N Y N 0 -3.434 1.821 0.347
5 C9 C C9 N Y N 0 -2.839 3.056 0.604
6 C8 C C8 N Y N 0 -1.499 3.243 0.328
7 C7 C C7 N Y N 0 -0.748 2.21 -0.201
8 C6 C C6 N Y N 0 -1.334 0.985 -0.464
9 C5 C C5 N Y N 0 -2.671 0.783 -0.188
10 C10 C C10 R N N 0 0.714 2.421 -0.5
11 N11 N N11 N N N 0 1.071 1.733 -1.75
12 C12 C C12 N N N 0 1.708 2.792 -2.616
13 C13 C C13 N N N 0 2.676 1.995 -3.525
14 C14 C C14 N N N 0 3.216 0.9 -2.577
15 C15 C C15 S N N 0 2.148 0.759 -1.48
16 C16 C C16 R N N 0 2.749 1.119 -0.114
17 C17 C C17 R N N 0 2.915 -0.17 0.719
18 N19 N N19 N N N 0 1.614 -0.398 1.359
19 C20 C C20 N N N 0 0.856 0.71 1.331
20 O21 O O21 N N N 0 -0.267 0.793 1.784
21 C22 C C22 S N N 0 1.594 1.835 0.644
22 C23 C C23 N N N 0 1.195 -1.673 1.946
23 C24 C C24 N Y N 0 0.385 -2.448 0.939
24 C32 C C32 N Y N 0 1.021 -3.27 0.027
25 C31 C C31 N Y N 0 0.28 -3.981 -0.897
26 C30 C C30 N Y N 0 -1.102 -3.87 -0.91
27 O29 O O29 N N N 0 -1.833 -4.569 -1.818
28 C28 C C28 N N N 0 -3.205 -4.248 -1.58
29 C26 C C26 N Y N 0 -1.738 -3.04 0.002
30 C25 C C25 N Y N 0 -0.993 -2.335 0.928
31 C18 C C18 N N N 0 4.0 0.02 1.781
32 C41 C C41 N N N 0 4.047 -1.212 2.688
33 C42 C C42 N N N 0 5.357 0.201 1.097
34 H1N1 H 1H1N N N N 0 -4.927 -0.331 0.013
35 H1N2 H 2H1N N N N 0 -6.397 0.256 0.577
36 H2N H H2N N N N 0 -6.521 2.448 1.332
37 H9 H H9 N N N 0 -3.424 3.863 1.017
38 H8 H H8 N N N 0 -1.037 4.199 0.527
39 H6 H H6 N N N 0 -0.743 0.182 -0.878
40 H5 H H5 N N N 0 -3.127 -0.175 -0.389
41 H10 H H10 N N N 0 0.92 3.488 -0.595
42 H121 H 1H12 N N N 0 2.258 3.509 -2.006
43 H122 H 2H12 N N N 0 0.951 3.298 -3.214
44 H131 H 1H13 N N N 0 3.486 2.633 -3.878
45 H132 H 2H13 N N N 0 2.14 1.551 -4.363
46 H141 H 1H14 N N N 0 4.167 1.209 -2.142
47 H142 H 2H14 N N N 0 3.333 -0.042 -3.114
48 H15 H H15 N N N 0 1.75 -0.255 -1.465
49 H16 H H16 N N N 0 3.662 1.711 -0.184
50 H17 H H17 N N N 0 3.167 -1.008 0.069
51 H22 H H22 N N N 0 1.945 2.602 1.334
52 H231 H 1H23 N N N 0 0.588 -1.482 2.831
53 H232 H 2H23 N N N 0 2.075 -2.251 2.227
54 H32 H H32 N N N 0 2.097 -3.356 0.038
55 H31 H H31 N N N 0 0.778 -4.624 -1.609
56 H281 H 1H28 N N N 0 -3.354 -3.175 -1.706
57 H282 H 2H28 N N N 0 -3.833 -4.788 -2.289
58 H283 H 3H28 N N N 0 -3.474 -4.535 -0.564
59 H26 H H26 N N N 0 -2.814 -2.951 -0.006
60 H25 H H25 N N N 0 -1.488 -1.692 1.641
61 H18 H H18 N N N 0 3.773 0.903 2.378
62 H411 H 1H41 N N N 0 4.156 -2.108 2.078
63 H412 H 2H41 N N N 0 4.895 -1.13 3.368
64 H413 H 3H41 N N N 0 3.124 -1.274 3.264
65 H421 H 1H42 N N N 0 6.13 0.337 1.853
66 H422 H 2H42 N N N 0 5.583 -0.682 0.499
67 H423 H 3H42 N N N 0 5.323 1.078 0.451