Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : RUT

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 73


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N Y N 0 -0.939 -2.543 1.156
2 C1 C C1 N Y N 0 -1.741 -1.546 0.745
3 C2 C C2 N Y N 0 -1.984 -1.3 -0.573
4 O2 O O2 N N N 0 -2.804 -0.277 -0.94
5 C3 C C3 N Y N 0 -1.381 -2.122 -1.559
6 O3 O O3 N N N 0 -1.58 -1.935 -2.749
7 C4 C C4 N Y N 0 0.139 -4.063 -1.997
8 O4 O O4 N N N 0 -0.038 -3.902 -3.333
9 C5 C C5 N Y N 0 0.952 -5.073 -1.518
10 C6 C C6 N Y N 0 1.132 -5.235 -0.149
11 O5 O O5 N N N 0 1.934 -6.231 0.31
12 C7 C C7 N Y N 0 0.502 -4.392 0.752
13 C8 C C8 N Y N 0 -0.318 -3.372 0.292
14 C9 C C9 N Y N 0 -0.502 -3.206 -1.092
15 C10 C C10 N Y N 0 -2.381 -0.686 1.758
16 C11 C C11 N Y N 0 -1.624 -0.157 2.807
17 C12 C C12 N Y N 0 -2.228 0.653 3.75
18 O6 O O6 N N N 0 -1.493 1.173 4.769
19 C13 C C13 N Y N 0 -3.591 0.931 3.66
20 O7 O O7 N N N 0 -4.183 1.722 4.592
21 C14 C C14 N Y N 0 -4.344 0.401 2.622
22 C15 C C15 N Y N 0 -3.747 -0.403 1.674
23 C16 C C16 S N N 0 -1.985 0.694 -1.595
24 C17 C C17 R N N 0 -2.877 1.743 -2.262
25 O8 O O8 N N N 0 -3.746 1.105 -3.201
26 C18 C C18 S N N 0 -1.992 2.761 -2.99
27 O9 O O9 N N N 0 -2.801 3.827 -3.492
28 C19 C C19 S N N 0 -0.965 3.315 -1.996
29 O10 O O10 N N N 0 -0.037 4.155 -2.686
30 C20 C C20 R N N 0 -0.216 2.147 -1.35
31 C21 C C21 N N N 0 0.836 2.691 -0.382
32 O11 O O11 N N N 0 -1.135 1.321 -0.637
33 C22 C C22 R N N 0 2.488 2.162 1.121
34 O12 O O12 N N N 0 1.607 1.607 0.142
35 C23 C C23 R N N 0 3.133 1.029 1.922
36 O13 O O13 N N N 0 4.037 1.578 2.884
37 C24 C C24 R N N 0 3.898 0.111 0.962
38 O14 O O14 N N N 0 4.627 -0.865 1.71
39 C25 C C25 R N N 0 4.87 0.964 0.14
40 O15 O O15 N N N 0 5.487 0.154 -0.863
41 C26 C C26 S N N 0 4.093 2.101 -0.528
42 C27 C C27 N N N 0 5.048 2.938 -1.381
43 O16 O O16 N N N 0 3.498 2.929 0.469
44 HO4 H HO4 N N N 0 -0.801 -4.442 -3.581
45 H5 H H5 N N N 0 1.45 -5.737 -2.21
46 HO5 H HO5 N N N 0 1.372 -7.008 0.432
47 H7 H H7 N N N 0 0.649 -4.528 1.813
48 HO7 H HO7 N N N 0 -4.421 1.15 5.335
49 H11 H H11 N N N 0 -0.568 -0.373 2.875
50 HO6 H HO6 N N N 0 -1.462 0.501 5.463
51 H2 H H2 N N N 0 -5.399 0.619 2.556
52 H1 H H1 N N N 0 -4.336 -0.813 0.867
53 H16 H H16 N N N 0 -1.375 0.202 -2.353
54 H17 H H17 N N N 0 -3.471 2.252 -1.504
55 HO8 H HO8 N N N 0 -4.278 0.47 -2.702
56 H18 H H18 N N N 0 -1.476 2.273 -3.817
57 HO9 H HO9 N N N 0 -3.438 3.431 -4.102
58 H19 H H19 N N N 0 -1.477 3.892 -1.226
59 H10 H H10 N N N 0 -0.55 4.871 -3.083
60 H20 H H20 N N N 0 0.274 1.558 -2.125
61 H211 H 1H21 N N N 0 0.342 3.213 0.436
62 H212 H 2H21 N N N 0 1.493 3.381 -0.91
63 H22 H H22 N N N 0 1.922 2.805 1.794
64 H23 H H23 N N N 0 2.359 0.457 2.434
65 H13 H H13 N N N 0 3.515 2.152 3.461
66 H24 H H24 N N N 0 3.195 -0.389 0.296
67 H14 H H14 N N N 0 3.978 -1.368 2.221
68 H25 H H25 N N N 0 5.635 1.38 0.795
69 H15 H H15 N N N 0 6.089 0.729 -1.355
70 H26 H H26 N N N 0 3.313 1.682 -1.164
71 H271 H 1H27 N N N 0 5.829 3.358 -0.746
72 H272 H 2H27 N N N 0 5.502 2.307 -2.145
73 H273 H 3H27 N N N 0 4.495 3.747 -1.859