Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 8K1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 88


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C11 C C1 R N N 0 -2.813 0.04 -1.674
2 C12 C C2 N N N 0 -2.615 -0.825 -2.944
3 C13 C C3 N N N 0 -2.319 1.441 -2.03
4 C14 C C4 N N N 0 -2.766 2.483 -1.013
5 C15 C C5 N N N 0 -4.287 2.471 -0.884
6 C16 C C6 R N N 0 -4.753 1.106 -0.354
7 C18 C C7 S N N 0 -4.281 0.019 -1.317
8 C19 C C8 N N N 0 -4.75 -1.348 -0.82
9 C20 C C9 R N N 0 -6.28 -1.396 -0.923
10 C21 C C10 R N N 0 -6.915 -0.269 -0.152
11 C22 C C11 N N N 0 -7.104 -0.606 1.339
12 C23 C C12 S N N 0 -6.274 1.092 -0.351
13 C25 C C13 N N N 0 -7.092 1.751 1.974
14 C28 C C14 N N N 0 -10.38 0.94 0.743
15 O8 O O1 N N N 0 0.15 -0.336 1.719
16 P P P1 N N N 0 0.25 -1.276 0.416
17 O7 O O2 N N N 0 -0.279 -2.621 0.736
18 O2 O O3 N N N 0 1.79 -1.4 -0.04
19 C9 C C15 N N N 0 2.79 -2.031 0.762
20 C8 C C16 R N N 0 4.136 -1.975 0.035
21 C7 C C17 S N N 0 5.206 -2.76 0.825
22 O1 O O4 N N N 0 5.375 -4.068 0.275
23 C6 C C18 R N N 0 6.494 -1.926 0.642
24 O O O5 N N N 0 7.497 -2.694 -0.026
25 O9 O O6 N N N 0 4.629 -0.618 -0.005
26 C5 C C19 R N N 0 6.049 -0.736 -0.236
27 N4 N N1 N Y N 0 6.737 0.489 0.179
28 C2 C C20 N Y N 0 7.951 0.935 -0.28
29 N2 N N2 N Y N 0 8.846 0.485 -1.153
30 C1 C C21 N Y N 0 9.952 1.16 -1.388
31 N1 N N3 N Y N 0 10.23 2.299 -0.78
32 C4 C C22 N Y N 0 6.285 1.399 1.089
33 N3 N N4 N Y N 0 7.148 2.365 1.217
34 C3 C C23 N Y N 0 8.2 2.143 0.393
35 C C C24 N Y N 0 9.395 2.826 0.109
36 N N N5 N N N 0 9.694 4.021 0.74
37 O3 O O7 N N N 0 -0.613 -0.63 -0.78
38 C10 C C25 N N N 0 -1.941 -0.553 -0.599
39 O6 O O8 N N N 0 -2.436 -0.959 0.425
40 O4 O O9 N N N 0 -6.746 -2.651 -0.418
41 C29 C C26 N N N 0 -8.407 -0.082 -0.574
42 C27 C C27 S N N 0 -8.866 0.926 0.52
43 O5 O O10 N N N 0 -8.335 2.21 0.095
44 C26 C C28 S N N 0 -8.058 0.539 1.796
45 C24 C C29 S N N 0 -6.929 2.179 0.495
46 C17 C C30 N N N 0 -4.191 0.907 1.048
47 H1 H H1 N N N 0 -1.559 -0.839 -3.213
48 H2 H H2 N N N 0 -2.953 -1.843 -2.747
49 H3 H H3 N N N 0 -3.194 -0.403 -3.765
50 H4 H H4 N N N 0 -1.224 1.429 -2.074
51 H5 H H5 N N N 0 -2.695 1.713 -3.021
52 H6 H H6 N N N 0 -2.288 2.316 -0.054
53 H7 H H7 N N N 0 -2.458 3.477 -1.371
54 H8 H H8 N N N 0 -4.603 3.253 -0.196
55 H9 H H9 N N N 0 -4.738 2.642 -1.863
56 H10 H H10 N N N 0 -4.84 0.2 -2.27
57 H11 H H11 N N N 0 -4.338 -2.141 -1.447
58 H12 H H12 N N N 0 -4.45 -1.524 0.208
59 H13 H H13 N N N 0 -6.566 -1.313 -1.976
60 H14 H H14 N N N 0 -7.599 -1.579 1.462
61 H15 H H15 N N N 0 -6.172 -0.597 1.894
62 H16 H H16 N N N 0 -6.549 1.372 -1.408
63 H17 H H17 N N N 0 -7.582 2.546 2.555
64 H18 H H18 N N N 0 -6.17 1.466 2.461
65 H19 H H19 N N N 0 -10.713 -0.055 1.036
66 H20 H H20 N N N 0 -10.625 1.652 1.531
67 H24 H H24 N N N 0 2.514 -3.071 0.935
68 H21 H H21 N N N 0 -10.88 1.234 -0.18
69 H22 H H22 N N N 0 0.481 0.562 1.582
70 H23 H H23 N N N 0 2.871 -1.513 1.717
71 H25 H H25 N N N 0 4.039 -2.375 -0.974
72 H26 H H26 N N N 0 4.935 -2.822 1.879
73 H27 H H27 N N N 0 6.036 -4.605 0.733
74 H28 H H28 N N N 0 6.862 -1.576 1.607
75 H29 H H29 N N N 0 7.77 -3.487 0.454
76 H30 H H30 N N N 0 6.247 -0.945 -1.287
77 H31 H H31 N N N 0 10.658 0.767 -2.104
78 H32 H H32 N N N 0 5.35 1.328 1.624
79 H33 H H33 N N N 0 10.522 4.483 0.536
80 H34 H H34 N N N 0 9.077 4.395 1.388
81 H35 H H35 N N N 0 -6.402 -3.418 -0.895
82 H36 H H36 N N N 0 -8.468 0.35 -1.572
83 H37 H H37 N N N 0 -8.944 -1.025 -0.507
84 H38 H H38 N N N 0 -8.668 0.307 2.667
85 H39 H H39 N N N 0 -6.459 3.154 0.38
86 H40 H H40 N N N 0 -3.102 0.934 1.01
87 H41 H H41 N N N 0 -4.552 1.702 1.701
88 H42 H H42 N N N 0 -4.517 -0.058 1.436