Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : N38

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 78


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N N N 0 -8.836 1.002 -0.375
2 C03 C C2 N Y N 0 -7.512 -0.889 0.198
3 C04 C C3 N Y N 0 -7.353 -2.169 0.709
4 C05 C C4 N Y N 0 -6.101 -2.751 0.736
5 C06 C C5 N Y N 0 -5.003 -2.057 0.252
6 C08 C C6 N N N 0 -2.684 -1.857 -0.236
7 C09 C C7 N N N 0 -1.387 -2.661 -0.123
8 C10 C C8 N N N 0 -0.224 -1.834 -0.675
9 C13 C C9 S N N 0 2.774 -0.511 -0.51
10 C14 C C10 N N N 0 4.276 -0.235 -0.591
11 C15 C C11 N N N 0 5.035 -1.309 0.191
12 C16 C C12 N N N 0 4.688 -1.199 1.677
13 C17 C C13 N N N 0 5.447 -2.273 2.459
14 C18 C C14 N N N 0 6.952 -2.072 2.271
15 C19 C C15 N N N 0 7.3 -2.182 0.785
16 C20 C C16 N N N 0 6.541 -1.108 0.003
17 C21 C C17 N N N 0 2.021 0.596 -1.201
18 C23 C C18 S N N 0 1.41 2.943 -1.44
19 C24 C C19 N N N 0 1.122 4.065 -0.441
20 C25 C C20 S N N 0 0.197 3.542 0.66
21 C26 C C21 N N N 0 -0.092 4.63 1.67
22 C28 C C22 N N N 0 -2.133 3.614 1.226
23 C29 C C23 N N N 0 -1.191 3.187 0.078
24 C31 C C24 N N N 0 2.254 3.491 -2.592
25 C36 C C25 N Y N 0 -5.161 -0.778 -0.261
26 C37 C C26 N Y N 0 -6.413 -0.195 -0.287
27 N12 N N1 N N N 0 2.476 -1.787 -1.165
28 N22 N N2 N N N 0 2.142 1.866 -0.768
29 N27 N N3 N N N 0 -1.403 4.652 1.964
30 O02 O O1 N N N 0 -8.746 -0.318 0.166
31 O07 O O2 N N N 0 -3.77 -2.63 0.279
32 O30 O O3 N N N 0 0.739 5.375 2.146
33 O32 O O4 N N N 0 3.434 4.105 -2.069
34 O33 O O5 N N N 0 1.306 0.344 -2.148
35 O34 O O6 N N N 0 1.684 -2.947 0.823
36 O35 O O7 N N N 0 1.292 -3.897 -1.427
37 S11 S S1 N N N 0 1.314 -2.788 -0.54
38 H1 H H1 N N N 0 -9.872 1.338 -0.341
39 H2 H H2 N N N 0 -8.215 1.678 0.213
40 H3 H H3 N N N 0 -8.489 0.996 -1.408
41 H4 H H4 N N N 0 -8.208 -2.709 1.087
42 H5 H H5 N N N 0 -5.977 -3.747 1.135
43 H6 H H6 N N N 0 -2.59 -0.935 0.336
44 H7 H H7 N N N 0 -2.872 -1.618 -1.283
45 H8 H H8 N N N 0 -1.198 -2.901 0.924
46 H9 H H9 N N N 0 -1.48 -3.584 -0.695
47 H10 H H10 N N N 0 -0.413 -1.595 -1.721
48 H11 H H11 N N N 0 -0.131 -0.912 -0.102
49 H12 H H12 N N N 0 2.469 -0.56 0.536
50 H13 H H13 N N N 0 4.593 -0.252 -1.633
51 H14 H H14 N N N 0 4.489 0.745 -0.163
52 H15 H H15 N N N 0 4.752 -2.295 -0.176
53 H16 H H16 N N N 0 4.972 -0.213 2.045
54 H17 H H17 N N N 0 3.616 -1.342 1.811
55 H18 H H18 N N N 0 5.2 -2.195 3.518
56 H19 H H19 N N N 0 5.163 -3.259 2.091
57 H20 H H20 N N N 0 7.236 -1.086 2.639
58 H23 H H23 N N N 0 7.016 -3.168 0.417
59 H21 H H21 N N N 0 7.493 -2.837 2.828
60 H22 H H22 N N N 0 8.372 -2.039 0.651
61 H24 H H24 N N N 0 6.788 -1.186 -1.056
62 H25 H H25 N N N 0 6.825 -0.122 0.371
63 H26 H H26 N N N 0 0.47 2.554 -1.831
64 H27 H H27 N N N 0 2.057 4.406 0.002
65 H28 H H28 N N N 0 0.639 4.895 -0.956
66 H29 H H29 N N N 0 0.64 2.673 1.148
67 H30 H H30 N N N 0 -3.06 4.02 0.821
68 H31 H H31 N N N 0 -2.345 2.765 1.875
69 H32 H H32 N N N 0 -1.393 3.76 -0.826
70 H33 H H33 N N N 0 -1.271 2.117 -0.114
71 H34 H H34 N N N 0 2.535 2.674 -3.258
72 H35 H H35 N N N 0 1.676 4.229 -3.147
73 H36 H H36 N N N 0 -4.306 -0.237 -0.638
74 H37 H H37 N N N 0 -6.537 0.801 -0.685
75 H38 H H38 N N N 0 2.96 -2.046 -1.964
76 H39 H H39 N N N 0 2.714 2.068 -0.01
77 H40 H H40 N N N 0 -1.815 5.273 2.585
78 H41 H H41 N N N 0 4.017 4.475 -2.745