Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A97

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 C18 C C1 N Y N 0 -2.266 -1.099 0.132
2 C29 C C2 N N N 0 3.556 -5.572 0.494
3 C19 C C3 N Y N 0 -1.637 -2.442 0.135
4 C25 C C4 N N N 0 2.362 -3.288 -0.754
5 C16 C C5 N Y N 0 -2.044 1.303 0.225
6 C28 C C6 N N N 0 3.967 -5.448 -1.889
7 C14 C C7 N N N 0 -1.197 2.507 0.326
8 C17 C C8 N Y N 0 -1.466 0.041 0.227
9 C12 C C9 N N N 0 0.982 3.579 0.52
10 C21 C C10 N Y N 0 -1.795 -4.831 0.047
11 C20 C C11 N Y N 0 -2.417 -3.601 0.041
12 C26 C C12 N N N 0 3.876 -3.421 -0.568
13 C23 C C13 N Y N 0 0.295 -3.86 0.225
14 C01 C C14 N N N 0 2.321 5.297 -3.532
15 C02 C C15 N N N 0 2.912 4.94 -2.166
16 C03 C C16 N N N 0 2.622 3.471 -1.854
17 C04 C C17 N N N 0 3.204 3.119 -0.509
18 C05 C C18 N N N 0 4.549 2.741 -0.396
19 C06 C C19 N N N 0 5.063 2.427 0.817
20 C07 C C20 N N N 0 6.51 2.022 0.931
21 C09 C C21 N N N 0 2.994 2.837 1.855
22 C11 C C22 N N N 0 2.429 3.17 0.612
23 C30 C C23 N N N 0 2.043 -5.44 0.308
24 C31 C C24 N Y N 0 -0.252 -2.583 0.226
25 C32 C C25 N Y N 0 -3.647 -0.985 0.03
26 C33 C C26 N Y N 0 -4.245 0.27 0.026
27 C34 C C27 N Y N 0 -3.449 1.427 0.126
28 C35 C C28 N Y N 0 -4.325 2.533 0.097
29 C38 C C29 N N N 0 -6.729 -0.161 -0.177
30 C39 C C30 N N N 0 -7.652 0.077 1.02
31 C40 C C31 N N N 0 -7.475 0.171 -1.471
32 N08 N N1 N N N 0 4.289 2.472 1.931
33 N13 N N2 N N N 0 0.141 2.383 0.42
34 N22 N N3 N Y N 0 -0.482 -4.929 0.14
35 N24 N N4 N N N 0 1.673 -4.017 0.32
36 N27 N N5 N N N 0 4.245 -4.843 -0.58
37 N36 N N6 N Y N 0 -5.548 2.096 -0.007
38 N37 N N7 N Y N 0 -5.547 0.697 -0.06
39 O10 O O1 N N N 0 2.312 2.878 2.866
40 O15 O O2 N N N 0 -1.708 3.61 0.324
41 H1 H H1 N N N 0 3.842 -5.154 1.459
42 H2 H H2 N N N 0 3.836 -6.625 0.457
43 H3 H H3 N N N 0 2.082 -2.235 -0.716
44 H4 H H4 N N N 0 2.076 -3.706 -1.719
45 H5 H H5 N N N 0 2.895 -5.422 -2.081
46 H6 H H6 N N N 0 4.489 -4.889 -2.666
47 H7 H H7 N N N 0 4.312 -6.483 -1.892
48 H8 H H8 N N N 0 -0.393 -0.059 0.302
49 H9 H H9 N N N 0 0.706 4.144 1.41
50 H10 H H10 N N N 0 0.836 4.201 -0.364
51 H11 H H11 N N N 0 -2.392 -5.729 -0.02
52 H12 H H12 N N N 0 -3.492 -3.531 -0.034
53 H13 H H13 N N N 0 4.389 -2.905 -1.38
54 H14 H H14 N N N 0 4.165 -2.978 0.385
55 H15 H H15 N N N 0 2.527 6.344 -3.754
56 H16 H H16 N N N 0 2.772 4.667 -4.298
57 H17 H H17 N N N 0 1.243 5.135 -3.515
58 H18 H H18 N N N 0 3.99 5.102 -2.183
59 H19 H H19 N N N 0 2.461 5.57 -1.399
60 H20 H H20 N N N 0 1.544 3.308 -1.837
61 H21 H H21 N N N 0 3.073 2.841 -2.621
62 H22 H H22 N N N 0 5.175 2.7 -1.275
63 H23 H H23 N N N 0 7.123 2.907 1.101
64 H24 H H24 N N N 0 6.629 1.331 1.765
65 H25 H H25 N N N 0 6.825 1.534 0.008
66 H27 H H27 N N N 0 1.753 -5.883 -0.645
67 H28 H H28 N N N 0 1.53 -5.955 1.12
68 H29 H H29 N N N 0 0.385 -1.714 0.295
69 H30 H H30 N N N 0 -4.257 -1.873 -0.048
70 H31 H H31 N N N 0 -4.031 3.57 0.158
71 H32 H H32 N N N 0 -6.419 -1.206 -0.195
72 H33 H H33 N N N 0 -8.531 -0.562 0.933
73 H34 H H34 N N N 0 -7.12 -0.16 1.941
74 H35 H H35 N N N 0 -7.962 1.121 1.038
75 H39 H H39 N N N 0 0.548 1.503 0.421
76 H36 H H36 N N N 0 -7.785 1.216 -1.453
77 H37 H H37 N N N 0 -6.817 0.002 -2.323
78 H38 H H38 N N N 0 -8.354 -0.467 -1.557
79 H26 H H26 N N N 0 4.673 2.244 2.792