Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IS5

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 C13 C C1 S N N 0 -1.535 0.762 -0.003
2 C15 C C2 N N N 0 -0.441 2.731 1.078
3 C16 C C3 N N N 0 -0.314 4.255 1.052
4 C19 C C4 N N N 0 0.78 0.071 0.309
5 C17 C C5 N N N 0 -0.861 2.278 2.478
6 C12 C C6 N N N 0 -2.656 0.326 -0.911
7 C01 C C7 N N N 0 -5.19 1.26 -2.615
8 C03 C C8 S N N 0 -5.016 0.249 -1.511
9 C04 C C9 N N N 0 -6.314 0.144 -0.706
10 C05 C C10 S N N 0 -6.167 -0.945 0.359
11 C06 C C11 N N N 0 -7.434 -1.06 1.177
12 C08 C C12 N N N 0 -6.8 -3.237 0.674
13 C09 C C13 N N N 0 -6.017 -2.334 -0.305
14 C14 C C14 N N N 0 -1.496 2.29 0.061
15 C21 C C15 N N N 0 3.03 -0.569 0.785
16 C22 C C16 R N N 0 4.271 -1.094 0.06
17 C23 C C17 R N N 0 5.556 -1.242 0.877
18 C24 C C18 N N N 0 4.777 -2.486 0.443
19 C25 C C19 N Y N 0 6.861 -0.959 0.178
20 C26 C C20 N Y N 0 7.692 0.042 0.645
21 C27 C C21 N Y N 0 8.891 0.301 0.003
22 C29 C C22 N Y N 0 9.256 -0.443 -1.106
23 C30 C C23 N Y N 0 8.424 -1.444 -1.571
24 C31 C C24 N Y N 0 7.229 -1.705 -0.926
25 F28 F F1 N N N 0 9.703 1.28 0.458
26 N07 N N1 N N N 0 -7.768 -2.352 1.333
27 N11 N N2 N N N 0 -3.927 0.673 -0.628
28 N18 N N3 N N N 0 -0.261 0.262 -0.525
29 O02 O O1 N N N 0 -4.478 2.234 -2.659
30 O10 O O2 N N N 0 -8.058 -0.122 1.627
31 O20 O O3 N N N 0 1.952 -0.388 -0.171
32 O32 O O4 N N N 0 0.663 0.314 1.494
33 O33 O O5 N N N 0 -2.414 -0.337 -1.898
34 H1 H H1 N N N 0 -1.701 0.361 0.997
35 H2 H H2 N N N 0 0.519 2.282 0.824
36 H3 H H3 N N N 0 -1.274 4.705 1.307
37 H4 H H4 N N N 0 0.438 4.569 1.777
38 H5 H H5 N N N 0 -0.014 4.578 0.055
39 H6 H H6 N N N 0 -0.952 1.192 2.496
40 H7 H H7 N N N 0 -0.11 2.592 3.202
41 H8 H H8 N N N 0 -1.821 2.727 2.732
42 H9 H H9 N N N 0 -5.952 1.113 -3.366
43 H11 H H11 N N N 0 -4.777 -0.723 -1.942
44 H12 H H12 N N N 0 -6.52 1.099 -0.223
45 H13 H H13 N N N 0 -7.136 -0.11 -1.375
46 H14 H H14 N N N 0 -5.312 -0.735 1.002
47 H15 H H15 N N N 0 -7.319 -4.024 0.128
48 H16 H H16 N N N 0 -6.123 -3.672 1.409
49 H17 H H17 N N N 0 -6.473 -2.344 -1.295
50 H18 H H18 N N N 0 -4.969 -2.63 -0.356
51 H19 H H19 N N N 0 -1.242 2.688 -0.921
52 H20 H H20 N N N 0 -2.473 2.666 0.365
53 H21 H H21 N N N 0 2.724 -1.287 1.546
54 H22 H H22 N N N 0 3.261 0.385 1.257
55 H23 H H23 N N N 0 4.369 -0.791 -0.983
56 H24 H H24 N N N 0 5.518 -0.965 1.93
57 H25 H H25 N N N 0 4.226 -3.028 1.211
58 H26 H H26 N N N 0 5.209 -3.099 -0.348
59 H27 H H27 N N N 0 7.406 0.622 1.509
60 H28 H H28 N N N 0 10.191 -0.242 -1.608
61 H29 H H29 N N N 0 8.709 -2.025 -2.436
62 H30 H H30 N N N 0 6.582 -2.49 -1.287
63 H31 H H31 N N N 0 -8.549 -2.661 1.819
64 H32 H H32 N N N 0 -4.121 1.203 0.161
65 H33 H H33 N N N 0 -0.167 0.068 -1.471