Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : WK3

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


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 1.184 1.989 1.382
2 C2 C C2 N N N 0 1.326 1.174 0.095
3 C4 C C3 N N N 0 0.159 -0.601 1.209
4 C5 C C4 N N N 0 -1.079 -0.268 0.417
5 C7 C C5 N Y N 0 -3.443 -0.047 0.266
6 C8 C C6 N Y N 0 -3.534 1.242 -0.244
7 C9 C C7 N N N 0 -2.401 2.214 -0.041
8 C10 C C8 N Y N 0 -4.663 1.631 -0.937
9 C11 C C9 N Y N 0 -5.703 0.739 -1.123
10 C12 C C10 N Y N 0 -5.616 -0.545 -0.616
11 C13 C C11 N Y N 0 -4.489 -0.94 0.077
12 C14 C C12 N N N 0 -4.395 -2.34 0.628
13 C16 C C13 N N N 0 1.361 -1.044 -0.819
14 C17 C C14 N N N 0 1.306 -2.535 -0.479
15 C18 C C15 N N N 0 2.557 -0.561 1.204
16 C19 C C16 N Y N 0 3.78 -0.209 0.396
17 C20 C C17 N Y N 0 4.355 -1.153 -0.434
18 C21 C C18 N Y N 0 5.477 -0.831 -1.174
19 C22 C C19 N Y N 0 6.023 0.436 -1.085
20 C23 C C20 N Y N 0 5.448 1.38 -0.255
21 C24 C C21 N Y N 0 4.324 1.059 0.482
22 N3 N N1 N N N 1 1.351 -0.258 0.422
23 N6 N N2 N N N 0 -2.298 -0.446 0.964
24 O15 O O1 N N N 0 -0.979 0.16 -0.714
25 HC1A H H1 N N N 0 1.166 3.051 1.138
26 HC1C H H2 N N N 0 0.257 1.715 1.884
27 HC1B H H3 N N N 0 2.029 1.781 2.039
28 HC2A H H4 N N N 0 0.482 1.382 -0.562
29 HC2B H H5 N N N 0 2.254 1.447 -0.408
30 HC4B H H6 N N N 0 0.16 -0.031 2.138
31 HC4A H H7 N N N 0 0.168 -1.667 1.437
32 HC9A H H8 N N N 0 -1.775 2.234 -0.933
33 HC9C H H9 N N N 0 -2.805 3.21 0.14
34 HC9B H H10 N N N 0 -1.803 1.903 0.815
35 HC10 H H11 N N N 0 -4.734 2.632 -1.334
36 HC11 H H12 N N N 0 -6.586 1.045 -1.665
37 HC12 H H13 N N N 0 -6.43 -1.24 -0.763
38 H14B H H14 N N N 0 -4.879 -2.379 1.604
39 H14A H H15 N N N 0 -4.891 -3.032 -0.051
40 H14C H H16 N N N 0 -3.347 -2.62 0.731
41 H16A H H17 N N N 0 2.274 -0.832 -1.376
42 H16B H H18 N N N 0 0.495 -0.778 -1.425
43 H17C H H19 N N N 0 0.394 -2.747 0.078
44 H17B H H20 N N N 0 1.314 -3.118 -1.4
45 H17A H H21 N N N 0 2.172 -2.801 0.127
46 H18A H H22 N N N 0 2.575 -1.623 1.447
47 H18B H H23 N N N 0 2.549 0.022 2.125
48 HC20 H H24 N N N 0 3.928 -2.143 -0.504
49 HC21 H H25 N N N 0 5.927 -1.568 -1.823
50 HC22 H H26 N N N 0 6.9 0.688 -1.663
51 HC23 H H27 N N N 0 5.875 2.369 -0.185
52 HC24 H H28 N N N 0 3.872 1.798 1.127
53 HN6 H H29 N N N 0 -2.381 -0.85 1.842