Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : KLN

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 64


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 -2.284 -4.006 -0.097
2 C10 C C10 N Y N 0 -6.213 1.749 0.161
3 C11 C C11 N Y N 0 -6.954 1.512 -0.983
4 C12 C C12 N Y N 0 -6.607 0.472 -1.827
5 C13 C C13 N Y N 0 -5.517 -0.325 -1.531
6 C14 C C14 N N N 0 -0.343 -0.412 1.293
7 C15 C C15 N Y N 0 1.555 0.916 0.754
8 C16 C C16 N Y N 0 2.148 2.096 0.331
9 C17 C C17 N Y N 0 3.523 2.181 0.232
10 C18 C C18 N Y N 0 4.312 1.084 0.557
11 C19 C C19 N Y N 0 3.716 -0.097 0.98
12 C2 C C2 N Y N 0 -0.248 -3.672 -0.726
13 C20 C C20 N Y N 0 2.341 -0.178 1.083
14 C21 C C21 N N N 0 6.339 -0.097 0.846
15 C22 C C22 N N N 0 7.859 0.091 0.898
16 C23 C C23 N N N 0 7.622 1.833 -0.914
17 C24 C C24 N N N 0 6.112 1.576 -0.895
18 C25 C C25 N N N 0 9.315 0.065 -1.074
19 C26 C C26 N N N 0 10.082 -1.08 -0.465
20 C3 C C3 N Y N 0 -0.981 -2.661 -1.23
21 C4 C C4 N N N 0 -3.43 -2.03 -1.146
22 C5 C C5 S N N 0 -3.596 -0.965 -0.061
23 C6 C C6 R N N 0 -1.869 -0.315 1.339
24 C7 C C7 N N N 0 -2.489 -1.651 1.818
25 C8 C C8 N Y N 0 -4.78 -0.091 -0.386
26 C9 C C9 N Y N 0 -5.126 0.948 0.46
27 CL1 CL CL1 N N N 0 -8.318 2.517 -1.358
28 CL2 CL CL2 N N N 0 -4.196 1.245 1.895
29 H1 H H1 N N N 0 -3.154 -4.448 0.366
30 H10 H H10 N N N 0 -6.483 2.56 0.821
31 H12 H H12 N N N 0 -7.185 0.286 -2.72
32 H13 H H13 N N N 0 -5.244 -1.133 -2.194
33 H141 H 1H14 N N N 0 0.036 -0.641 2.289
34 H142 H 2H14 N N N 0 -0.05 -1.203 0.602
35 H16 H H16 N N N 0 1.535 2.948 0.078
36 H17 H H17 N N N 0 3.986 3.099 -0.097
37 H19 H H19 N N N 0 4.328 -0.95 1.233
38 H2 H H2 N N N 0 0.816 -3.809 -0.854
39 H20 H H20 N N N 0 1.878 -1.095 1.417
40 H211 H 1H21 N N N 0 5.976 -0.399 1.829
41 H212 H 2H21 N N N 0 6.092 -0.867 0.115
42 H221 H 1H22 N N N 0 8.115 0.784 1.7
43 H222 H 2H22 N N N 0 8.341 -0.87 1.074
44 H231 H 1H23 N N N 0 7.856 2.693 -0.287
45 H232 H 2H23 N N N 0 7.948 2.022 -1.937
46 H241 H 1H24 N N N 0 5.869 0.783 -1.602
47 H242 H 2H24 N N N 0 5.584 2.487 -1.175
48 H261 H 1H26 N N N 0 9.655 -2.024 -0.805
49 H262 H 2H26 N N N 0 11.126 -1.022 -0.772
50 H263 H 3H26 N N N 0 10.019 -1.023 0.621
51 H3 H H3 N N N 0 -0.62 -1.842 -1.833
52 H4C1 H 1H4C N N N 0 -3.274 -1.546 -2.11
53 H4C2 H 2H4C N N N 0 -4.327 -2.647 -1.19
54 H6 H H6 N N N 0 -2.185 0.508 1.98
55 H7C1 H 1H7C N N N 0 -1.919 -2.502 1.444
56 H7C2 H 2H7C N N N 0 -2.562 -1.68 2.905
57 N1 N N1 N Y N 0 -2.273 -2.873 -0.831
58 N2 N N2 N Y N 0 -1.069 -4.479 -0.039
59 N3 N N3 N N N 0 5.705 1.169 0.457
60 N4 N N4 N N N 0 8.306 0.64 -0.391
61 O1 O O1 N N N 0 -2.41 -0.162 0.011
62 O2 O O2 N N N 0 -3.803 -1.6 1.212
63 O3 O O3 N N N 0 0.201 0.833 0.851
64 O4 O O4 N N N 0 9.607 0.47 -2.18