Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 2I0

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 Y N 0 -4.973 2.704 -0.536
2 C2 C C2 N Y N 0 -5.491 1.648 -1.272
3 C3 C C3 N Y N 0 -4.71 0.54 -1.543
4 C7 C C4 N Y N 0 -1.486 1.471 0.153
5 C8 C C5 N Y N 0 -0.817 0.301 0.727
6 C9 C C6 N Y N 0 0.455 0.692 1.039
7 C10 C C7 S N N 0 1.806 2.783 0.87
8 C11 C C8 N N N 0 2.642 2.259 2.068
9 C12 C C9 N N N 0 4.071 2.707 1.67
10 C13 C C10 N N N 0 2.76 2.59 -0.328
11 C19 C C14 N Y N 0 0.529 -2.143 -0.126
12 C14 C C11 N N N 0 5.249 2.353 -0.519
13 C15 C C12 N N N 0 6.591 2.316 0.164
14 C16 C C13 N N N 0 7.689 2.101 -0.879
15 C20 C C15 N Y N 0 1.147 -3.296 -0.52
16 C21 C C16 N Y N 0 0.54 -4.543 -0.307
17 C22 C C17 N Y N 0 -0.691 -4.631 0.303
18 C24 C C18 N Y N 0 -3.122 -2.381 1.702
19 O1 O O1 N N N 0 5.177 2.22 -1.722
20 N2 N N1 N N N 0 4.128 2.533 0.208
21 N N N2 N Y N 0 0.59 1.986 0.698
22 N1 N N3 N Y N 0 -0.611 2.453 0.155
23 C5 C C19 N Y N 0 -2.882 1.535 -0.343
24 C4 C C20 N Y N 0 -3.41 0.478 -1.082
25 C6 C C21 N Y N 0 -3.67 2.651 -0.07
26 O O O2 N N N 0 -5.743 3.793 -0.277
27 C C C22 N N N 0 -7.076 3.784 -0.792
28 C17 C C23 N Y N 0 -1.403 -1.04 0.929
29 N4 N N4 N Y N 0 -2.586 -1.186 1.516
30 N3 N N5 N Y N 0 -2.542 -3.492 1.314
31 C23 C C24 N Y N 0 -1.342 -3.461 0.715
32 C18 C C25 N Y N 0 -0.72 -2.205 0.502
33 O2 O O3 N N N 0 1.174 -5.675 -0.708
34 C25 C C26 N N N 0 0.505 -6.914 -0.463
35 O3 O O4 N N N 0 2.363 -3.235 -1.125
36 C26 C C27 N N N 0 2.929 -1.936 -1.314
37 H1 H H1 N N N 0 -6.508 1.691 -1.634
38 H2 H H2 N N N 0 -5.118 -0.28 -2.116
39 H3 H H3 N N N 0 1.219 0.071 1.482
40 H4 H H4 N N N 0 1.56 3.837 1.001
41 H5 H H5 N N N 0 2.329 2.73 2.999
42 H6 H H6 N N N 0 2.58 1.173 2.141
43 H7 H H7 N N N 0 4.227 3.754 1.934
44 H8 H H8 N N N 0 4.815 2.078 2.157
45 H9 H H9 N N N 0 2.524 1.658 -0.842
46 H10 H H10 N N N 0 2.665 3.43 -1.016
47 H11 H H11 N N N 0 6.762 3.26 0.682
48 H12 H H12 N N N 0 6.61 1.499 0.885
49 H13 H H13 N N N 0 7.67 2.919 -1.6
50 H14 H H14 N N N 0 8.66 2.075 -0.385
51 H15 H H15 N N N 0 7.519 1.157 -1.397
52 H16 H H16 N N N 0 1.005 -1.188 -0.294
53 H17 H H17 N N N 0 -1.151 -5.595 0.463
54 H18 H H18 N N N 0 -4.088 -2.444 2.181
55 H19 H H19 N N N 0 -2.803 -0.389 -1.295
56 H20 H H20 N N N 0 -3.265 3.472 0.503
57 H21 H H21 N N N 0 -7.58 4.709 -0.515
58 H22 H H22 N N N 0 -7.044 3.699 -1.879
59 H23 H H23 N N N 0 -7.62 2.935 -0.377
60 H24 H H24 N N N 0 0.341 -7.034 0.608
61 H25 H H25 N N N 0 -0.455 -6.917 -0.98
62 H26 H H26 N N N 0 1.118 -7.737 -0.831
63 H27 H H27 N N N 0 3.059 -1.452 -0.346
64 H28 H H28 N N N 0 3.897 -2.03 -1.806
65 H29 H H29 N N N 0 2.263 -1.336 -1.933