Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 51B

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N01 N N1 N Y N 0 2.145 2.097 -0.139
2 C02 C C1 N Y N 0 1.879 0.86 0.232
3 N03 N N2 N Y N 0 2.806 -0.073 0.261
4 C04 C C2 N Y N 0 4.065 0.203 -0.088
5 C05 C C3 N Y N 0 4.386 1.503 -0.487
6 C06 C C4 N Y N 0 3.374 2.455 -0.502
7 O07 O O1 N N N 0 3.634 3.73 -0.881
8 C08 C C5 S N N 0 0.471 0.505 0.634
9 C09 C C6 N N N 0 -0.477 0.766 -0.538
10 N10 N N3 N N N 0 -1.852 0.44 -0.14
11 C11 C C7 N N N 0 -2.297 1.287 0.974
12 C12 C C8 N N N 0 -1.404 1.042 2.192
13 C13 C C9 N N N 0 0.048 1.366 1.828
14 C14 C C10 N Y N 0 5.101 -0.848 -0.053
15 S15 S S1 N Y N 0 4.814 -2.546 0.307
16 C16 C C11 N Y N 0 6.523 -2.908 0.109
17 C17 C C12 N Y N 0 7.19 -1.791 -0.201
18 C18 C C13 N Y N 0 6.414 -0.656 -0.297
19 C19 C C14 N N N 0 -2.771 0.546 -1.281
20 C20 C C15 N Y N 0 -4.112 -0.027 -0.902
21 C21 C C16 N Y N 0 -4.39 -1.37 -1.1
22 N22 N N4 N Y N 0 -5.577 -1.841 -0.756
23 C23 C C17 N Y N 0 -6.495 -1.044 -0.228
24 N24 N N5 N Y N 0 -6.261 0.244 -0.026
25 C25 C C18 N Y N 0 -5.092 0.777 -0.343
26 N26 N N6 N N N 0 -7.727 -1.57 0.12
27 C27 C C19 N N N 0 -8.754 -0.704 0.705
28 H1 H H1 N N N 0 5.394 1.762 -0.776
29 H3 H H3 N N N 0 0.426 -0.548 0.911
30 H4 H H4 N N N 0 -0.421 1.816 -0.824
31 H5 H H5 N N N 0 -0.187 0.144 -1.385
32 H7 H H7 N N N 0 -2.233 2.335 0.681
33 H8 H H8 N N N 0 -3.329 1.043 1.226
34 H9 H H9 N N N 0 -1.725 1.682 3.014
35 H10 H H10 N N N 0 -1.478 -0.003 2.494
36 H11 H H11 N N N 0 0.694 1.152 2.679
37 H12 H H12 N N N 0 0.13 2.421 1.563
38 H13 H H13 N N N 0 6.968 -3.886 0.222
39 H14 H H14 N N N 0 8.257 -1.78 -0.368
40 H15 H H15 N N N 0 6.826 0.311 -0.545
41 H16 H H16 N N N 0 -2.888 1.594 -1.557
42 H17 H H17 N N N 0 -2.365 -0.009 -2.127
43 H18 H H18 N N N 0 -3.646 -2.025 -1.53
44 H19 H H19 N N N 0 -4.906 1.827 -0.171
45 H20 H H20 N N N 0 -7.91 -2.512 -0.023
46 H21 H H21 N N N 0 -8.38 -0.273 1.633
47 H22 H H22 N N N 0 -8.997 0.095 0.005
48 H23 H H23 N N N 0 -9.649 -1.291 0.912
49 H2 H H2 N N N 0 3.896 4.311 -0.154