Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 0KW

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 54


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C01 N Y N 0 6.872 1.047 0.194
2 C02 C C02 N Y N 0 5.877 0.828 1.131
3 C03 C C03 N Y N 0 4.65 0.334 0.734
4 C04 C C04 N Y N 0 4.415 0.057 -0.607
5 C05 C C05 N Y N 0 5.415 0.278 -1.545
6 C06 C C06 N Y N 0 6.64 0.772 -1.142
7 CL1 CL CL1 N N N 0 8.41 1.675 0.696
8 N08 N N08 N N N 0 3.174 -0.443 -1.012
9 C09 C C09 N N N 0 2.052 -0.063 -0.369
10 C10 C C10 N N N 0 0.742 -0.686 -0.723
11 N11 N N11 N N N 0 -0.38 -0.306 -0.08
12 O12 O O12 N N N 0 0.687 -1.535 -1.589
13 O13 O O13 N N N 0 2.107 0.785 0.498
14 C14 C C14 S N N 0 -1.666 -0.918 -0.427
15 C15 C C15 S N N 0 -1.837 -2.223 0.353
16 C16 C C16 N Y N 0 -2.784 0.029 -0.072
17 C17 C C17 N N N 0 -0.702 -3.184 -0.0070
18 C18 C C18 N N N 0 -0.888 -4.496 0.76
19 C19 C C19 N N N 0 -2.258 -5.088 0.418
20 C20 C C20 N N N 0 -3.348 -4.072 0.765
21 N21 N N21 N N N 0 -3.126 -2.835 0.0060
22 N22 N N22 N Y N 0 -2.872 0.687 1.034
23 C23 C C23 N Y N 0 -3.918 1.475 1.183
24 C24 C C24 N Y N 0 -4.759 1.482 0.144
25 S25 S S25 N Y N 0 -4.116 0.392 -1.082
26 C26 C C26 N N N 0 -4.149 2.297 2.425
27 C27 C C27 N N N 0 -6.03 2.284 0.038
28 C28 C C28 N N N 0 -5.723 3.646 -0.588
29 O29 O O29 N N N 0 -6.929 4.406 -0.688
30 H1 H H1 N N N 0 6.06 1.043 2.173
31 H2 H H2 N N N 0 3.874 0.163 1.465
32 H3 H H3 N N N 0 5.235 0.064 -2.588
33 H4 H H4 N N N 0 7.417 0.949 -1.872
34 H5 H H5 N N N 0 3.121 -1.064 -1.755
35 H6 H H6 N N N 0 -0.337 0.371 0.613
36 H7 H H7 N N N 0 -1.692 -1.127 -1.496
37 H8 H H8 N N N 0 -1.811 -2.014 1.422
38 H9 H H9 N N N 0 -0.719 -3.383 -1.079
39 H10 H H10 N N N 0 0.254 -2.736 0.264
40 H12 H H12 N N N 0 -0.106 -5.2 0.474
41 H11 H H11 N N N 0 -0.831 -4.304 1.831
42 H13 H H13 N N N 0 -2.3 -5.317 -0.647
43 H14 H H14 N N N 0 -2.414 -6.0 0.993
44 H16 H H16 N N N 0 -4.324 -4.484 0.51
45 H15 H H15 N N N 0 -3.315 -3.854 1.833
46 H17 H H17 N N N 0 -3.191 -3.003 -0.987
47 H20 H H20 N N N 0 -4.727 1.715 3.142
48 H19 H H19 N N N 0 -3.189 2.567 2.865
49 H21 H H21 N N N 0 -4.697 3.202 2.164
50 H22 H H22 N N N 0 -6.746 1.75 -0.586
51 H23 H H23 N N N 0 -6.453 2.428 1.033
52 H25 H H25 N N N 0 -5.008 4.18 0.037
53 H24 H H24 N N N 0 -5.301 3.501 -1.582
54 H26 H H26 N N N 0 -6.809 5.284 -1.077