Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : VKG

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 63


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N N N 0 -4.881 3.931 0.517
2 C07 C C2 N Y N 0 -5.278 0.316 -0.911
3 C08 C C3 N Y N 0 -6.227 -0.517 -0.331
4 C09 C C4 N Y N 0 -5.835 -1.695 0.275
5 C10 C C5 N Y N 0 -4.5 -2.049 0.306
6 C11 C C6 N Y N 0 -3.547 -1.22 -0.273
7 C13 C C7 N N N 0 -1.677 -2.325 -1.234
8 C16 C C8 N N N 0 0.088 -3.516 -2.389
9 C17 C C9 N N N 0 -0.511 -4.914 -2.556
10 C18 C C10 N N N 0 0.928 -4.752 -2.06
11 C19 C C11 N N N 0 0.474 -2.355 -0.29
12 C21 C C12 N N N 0 -0.029 -1.544 0.822
13 C22 C C13 N N N 0 0.788 -1.138 1.872
14 C24 C C14 N Y N 0 3.055 -0.707 1.225
15 C25 C C15 N Y N 0 2.645 0.373 0.456
16 C26 C C16 N Y N 0 3.582 1.15 -0.198
17 C27 C C17 N Y N 0 4.928 0.853 -0.088
18 C29 C C18 N Y N 0 5.342 -0.223 0.678
19 C30 C C19 N Y N 0 4.41 -1.004 1.335
20 C33 C C20 N N N 0 1.132 0.04 3.982
21 C34 C C21 N N N 0 -1.029 -0.019 2.882
22 C39 C C25 N Y N 0 -3.936 -0.037 -0.882
23 C36 C C22 N N N 0 -1.89 -0.403 1.848
24 C37 C C23 N N N 0 -3.337 0.016 1.867
25 C38 C C24 N N N 0 -1.398 -1.167 0.811
26 F31 F F1 N N N 0 4.814 -2.055 2.082
27 I28 I I1 N N N 0 6.343 2.034 -1.083
28 N02 N N1 N N N 0 -6.059 3.063 0.6
29 N06 N N2 N N N 0 -5.675 1.505 -1.529
30 N12 N N3 N N N 0 -2.193 -1.58 -0.241
31 N15 N N4 N N N 0 -0.39 -2.705 -1.267
32 N23 N N5 N N N 0 2.108 -1.493 1.893
33 N32 N N6 N N N 0 0.265 -0.384 2.88
34 O04 O O1 N N N 0 -7.849 1.67 -0.372
35 O05 O O2 N N N 0 -6.937 3.623 -1.638
36 O14 O O3 N N N 0 -2.409 -2.674 -2.14
37 O20 O O4 N N N 0 1.639 -2.705 -0.331
38 O35 O O5 N N N 0 -1.459 0.66 3.8
39 S03 S S1 N N N 0 -6.771 2.498 -0.785
40 H1 H H1 N N N 0 -4.556 4.2 1.522
41 H2 H H2 N N N 0 -4.077 3.404 0.003
42 H3 H H3 N N N 0 -5.135 4.835 -0.037
43 H4 H H4 N N N 0 -7.271 -0.243 -0.353
44 H5 H H5 N N N 0 -6.574 -2.34 0.726
45 H6 H H6 N N N 0 -4.197 -2.97 0.781
46 H7 H H7 N N N 0 0.338 -2.965 -3.296
47 H8 H H8 N N N 0 -1.261 -5.23 -1.831
48 H9 H H9 N N N 0 -0.655 -5.282 -3.572
49 H10 H H10 N N N 0 1.73 -5.014 -2.75
50 H11 H H11 N N N 0 1.125 -4.961 -1.008
51 H12 H H12 N N N 0 1.594 0.605 0.369
52 H13 H H13 N N N 0 3.262 1.99 -0.796
53 H14 H H14 N N N 0 6.394 -0.453 0.762
54 H15 H H15 N N N 0 1.516 1.04 3.779
55 H16 H H16 N N N 0 0.56 0.052 4.91
56 H17 H H17 N N N 0 1.965 -0.656 4.078
57 H18 H H18 N N N 0 -3.554 0.531 2.803
58 H19 H H19 N N N 0 -3.532 0.687 1.03
59 H20 H H20 N N N 0 -3.972 -0.865 1.782
60 H21 H H21 N N N 0 -3.197 0.608 -1.333
61 H22 H H22 N N N 0 -6.421 2.819 1.466
62 H23 H H23 N N N 0 -5.309 1.747 -2.394
63 H24 H H24 N N N 0 2.389 -2.289 2.372