Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 6EK

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 80


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 -2.817 -0.05 -1.094
2 C15 C C2 N Y N 0 -5.646 0.668 1.658
3 C17 C C3 N N N 0 -5.442 -0.333 -2.854
4 C20 C C4 N N N 0 3.092 -3.8 -0.339
5 C21 C C5 N N N 0 4.465 -5.752 -0.371
6 C22 C C6 N N N 0 -1.779 2.178 -1.421
7 C24 C C7 N Y N 0 1.124 4.273 -0.627
8 C01 C C8 N N N 0 6.478 3.021 1.839
9 C02 C C9 N N N 0 7.827 2.389 1.486
10 C03 C C10 N N N 0 7.715 0.866 1.592
11 N01 N N1 N N N 0 6.674 0.386 0.674
12 C04 C C11 S N N 0 5.361 0.942 1.023
13 C05 C C12 S N N 0 5.403 2.467 0.9
14 O01 O O1 N N N 0 4.13 3.01 1.259
15 C06 C C13 N N N 0 4.317 0.392 0.085
16 N02 N N2 N N N 0 3.015 0.423 0.433
17 C07 C C14 S N N 0 2.001 -0.112 -0.478
18 C08 C C15 N N N 0 0.676 0.551 -0.2
19 N03 N N3 N N N 0 -0.411 0.213 -0.922
20 C09 C C16 S N N 0 -1.698 0.858 -0.652
21 N04 N N4 N N N 0 -4.099 0.339 -0.948
22 C11 C C17 S N N 0 -5.186 -0.541 -1.383
23 C12 C C18 S N N 0 -6.455 -0.213 -0.594
24 O09 O O2 N N N 0 -6.888 1.11 -0.915
25 N05 N N5 N Y N 0 -6.377 -1.387 1.693
26 C14 C C19 N Y N 0 -5.989 -1.036 2.939
27 N06 N N6 N Y N 0 -5.549 0.193 2.909
28 C16 C C20 N Y N 0 -6.165 -0.302 0.883
29 CL CL CL1 N N N 0 -6.057 -2.054 4.344
30 O02 O O3 N N N 0 -4.784 0.468 -3.474
31 O03 O O4 N N N 0 -6.402 -1.037 -3.474
32 O04 O O5 N N N 0 0.588 1.388 0.673
33 O05 O O6 N N N 0 -2.564 -1.129 -1.587
34 O06 O O7 N N N 0 4.649 -0.079 -0.982
35 C18 C C21 N N N 0 1.87 -1.622 -0.266
36 C19 C C22 S N N 0 3.177 -2.308 -0.667
37 O07 O O8 N N N 0 4.372 -4.43 -0.609
38 N07 N N7 N N N 0 5.626 -6.397 -0.601
39 O08 O O9 N N N 0 3.504 -6.362 0.051
40 O O O10 N N N 0 3.392 -2.141 -2.07
41 C23 C C23 N Y N 0 -0.738 3.131 -0.893
42 N08 N N8 N Y N 0 0.524 3.332 -1.405
43 C C C24 N Y N 0 -0.861 3.94 0.173
44 N09 N N9 N Y N 0 0.284 4.629 0.315
45 N N N10 N N N 0 2.407 4.767 -0.798
46 H1 H H1 N N N 0 -5.362 1.658 1.331
47 H2 H H2 N N N 0 2.84 -3.927 0.714
48 H3 H H3 N N N 0 2.321 -4.264 -0.955
49 H4 H H4 N N N 0 -1.599 1.994 -2.48
50 H5 H H5 N N N 0 -2.77 2.614 -1.291
51 H6 H H6 N N N 0 6.221 2.778 2.871
52 H7 H H7 N N N 0 6.542 4.103 1.725
53 H8 H H8 N N N 0 8.102 2.664 0.468
54 H9 H H9 N N N 0 8.589 2.747 2.178
55 H10 H H10 N N N 0 8.67 0.412 1.327
56 H11 H H11 N N N 0 7.453 0.591 2.613
57 H12 H H12 N N N 0 6.912 0.595 -0.284
58 H14 H H14 N N N 0 5.11 0.667 2.047
59 H15 H H15 N N N 0 5.64 2.743 -0.127
60 H16 H H16 N N N 0 4.084 3.974 1.205
61 H17 H H17 N N N 0 2.75 0.8 1.287
62 H18 H H18 N N N 0 2.297 0.086 -1.508
63 H19 H H19 N N N 0 -0.34 -0.456 -1.621
64 H20 H H20 N N N 0 -1.79 1.053 0.416
65 H21 H H21 N N N 0 -4.302 1.202 -0.554
66 H22 H H22 N N N 0 -4.906 -1.579 -1.207
67 H23 H H23 N N N 0 -7.239 -0.925 -0.853
68 H24 H H24 N N N 0 -6.239 1.797 -0.71
69 H25 H H25 N N N 0 -6.744 -2.243 1.424
70 H27 H H27 N N N 0 -6.529 -0.869 -4.418
71 H28 H H28 N N N 0 1.661 -1.824 0.785
72 H29 H H29 N N N 0 1.055 -2.006 -0.879
73 H30 H H30 N N N 0 4.006 -1.862 -0.117
74 H31 H H31 N N N 0 6.394 -5.91 -0.938
75 H32 H H32 N N N 0 5.693 -7.349 -0.429
76 H33 H H33 N N N 0 2.692 -2.515 -2.622
77 H34 H H34 N N N 0 0.912 2.887 -2.175
78 H35 H H35 N N N 0 -1.733 4.025 0.805
79 H37 H H37 N N N 0 2.96 4.439 -1.524
80 H38 H H38 N N N 0 2.752 5.44 -0.191