Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DEB

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 65


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 2.111 0.242 0.167
2 C10 C C10 R N N 0 -2.249 -0.111 2.39
3 C11 C C11 S N N 0 -0.798 0.304 2.107
4 C12 C C12 R N N 0 0.196 -0.394 3.02
5 C13 C C13 R N N 0 1.64 0.0090 2.557
6 C14 C C14 N N N 0 2.611 -0.47 3.676
7 C15 C C15 N N N 0 4.031 -0.0010 3.356
8 C18 C C18 N N N 0 3.769 -0.476 -1.446
9 C2 C C2 R N N 0 2.299 -0.434 -1.165
10 C20 C C20 N N N 0 0.919 -0.974 -4.183
11 C22 C C22 N N N 0 -2.537 -1.053 -3.045
12 C23 C C23 N N N 0 -2.751 -2.026 0.151
13 C25 C C25 N N N 0 -2.706 0.73 3.527
14 C27 C C27 N N N 0 0.075 -1.86 2.76
15 C3 C C3 S N N 0 1.662 0.463 -2.203
16 C4 C C4 R N N 0 0.435 -0.288 -2.82
17 C5 C C5 S N N 0 -0.652 0.636 -3.141
18 C6 C C6 S N N 0 -1.977 0.233 -2.432
19 C7 C C7 N N N 0 -1.647 0.062 -0.914
20 C8 C C8 R N N 0 -2.907 -0.495 -0.141
21 C9 C C9 N N N 0 -3.088 0.251 1.147
22 H10 H H10 N N N 0 -2.373 -1.141 2.629
23 H11 H H11 N N N 0 -0.567 0.116 0.972
24 H12 H H12 N N N 0 -0.052 -0.145 4.002
25 H13 H H13 N N N 0 1.715 1.138 2.562
26 H141 H 1H14 N N N 0 2.592 -1.559 3.731
27 H142 H 2H14 N N N 0 2.297 -0.053 4.633
28 H151 H 1H15 N N N 0 4.71 -0.337 4.139
29 H152 H 2H15 N N N 0 4.345 -0.418 2.399
30 H153 H 3H15 N N N 0 4.05 1.087 3.301
31 H181 H 1H18 N N N 0 4.273 -1.037 -0.659
32 H182 H 2H18 N N N 0 3.941 -0.962 -2.407
33 H183 H 3H18 N N N 0 4.162 0.539 -1.477
34 H2 H H2 N N N 0 1.811 -1.425 -1.097
35 H201 H 1H20 N N N 0 1.725 -1.677 -3.971
36 H202 H 2H20 N N N 0 0.083 -1.507 -4.638
37 H203 H 3H20 N N N 0 1.277 -0.207 -4.87
38 H221 H 1H22 N N N 0 -3.464 -1.322 -2.539
39 H222 H 2H22 N N N 0 -2.735 -0.894 -4.105
40 H223 H 3H22 N N N 0 -1.812 -1.858 -2.927
41 H231 H 1H23 N N N 0 -3.631 -2.386 0.683
42 H232 H 2H23 N N N 0 -2.649 -2.567 -0.789
43 H233 H 3H23 N N N 0 -1.863 -2.19 0.762
44 H251 H 1H25 N N N 0 -3.761 0.538 3.721
45 H252 H 2H25 N N N 0 -2.123 0.487 4.416
46 H253 H 3H25 N N N 0 -2.567 1.782 3.279
47 H271 H 1H27 N N N 0 0.774 -2.401 3.397
48 H272 H 2H27 N N N 0 -0.942 -2.185 2.979
49 H273 H 3H27 N N N 0 0.304 -2.064 1.714
50 H3 H H3 N N N 0 1.254 1.406 -1.823
51 H4 H H4 N N N 0 0.076 -1.076 -2.143
52 H5 H H5 N N N 0 -0.436 1.616 -2.798
53 H6 H H6 N N N 0 -2.681 1.038 -2.486
54 H71 H 1H7 N N N 0 -0.797 -0.652 -0.737
55 H72 H 2H7 N N N 0 -1.468 0.993 -0.411
56 H8 H H8 N N N 0 -3.822 -0.398 -0.78
57 HO1 H HO1 N N N 0 -1.661 1.294 -4.649
58 HO6 H HO6 N N N 0 -1.251 2.159 1.584
59 HO9 H HO9 N N N 0 3.329 1.256 -2.804
60 O16 O O16 N N N 0 1.94 -0.548 1.328
61 O17 O O17 N N N 0 2.048 1.432 0.274
62 O19 O O19 N N N 0 2.592 0.798 -3.232
63 O21 O O21 N N N 0 -0.938 0.664 -4.526
64 O24 O O24 N N N 0 -3.945 1.079 1.217
65 O26 O O26 N N N 0 -0.653 1.762 2.233