Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IQT

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 70


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C12 C C1 N N N 0 -1.196 4.804 0.604
2 C13 C C2 N N N 0 -0.112 3.833 0.389
3 C14 C C3 N N N 0 1.145 4.172 0.651
4 C15 C C4 N N N 0 2.255 3.177 0.432
5 C16 C C5 S N N 0 3.311 3.786 -0.493
6 C17 C C6 R N N 0 4.57 2.965 -0.776
7 C18 C C7 N N N 0 4.688 1.59 -0.116
8 C19 C C8 N N N 0 6.037 0.964 -0.478
9 C20 C C9 N N N 0 6.155 -0.411 0.182
10 O1 O O1 N N N 0 -6.625 -1.906 2.28
11 C1 C C10 N N N 0 -5.985 -2.117 1.27
12 O2 O O2 N N N 0 -6.033 -3.252 0.548
13 C2 C C11 S N N 0 -5.122 -3.1 -0.577
14 C3 C C12 N N N 0 -4.029 -4.169 -0.516
15 C4 C C13 N N N 0 -5.891 -3.209 -1.895
16 C5 C C14 N N N 0 -6.538 -4.592 -1.995
17 C6 C C15 N N N 0 -4.514 -1.724 -0.442
18 C7 C C16 N N N 0 -5.046 -1.17 0.651
19 N1 N N1 N N N 0 -4.75 0.111 1.136
20 C8 C C17 N N N 0 -3.949 0.932 0.428
21 C9 C C18 N N N 0 -3.725 2.349 0.889
22 C10 C C19 R N N 0 -2.783 3.059 -0.085
23 O3 O O3 N N N 0 -3.414 3.172 -1.362
24 C11 C C20 N N N 0 -2.462 4.435 0.44
25 O4 O O4 N N N 0 3.54 3.149 -1.752
26 C21 C C21 N N N 0 7.504 -1.036 -0.18
27 C22 C C22 N N N 0 7.622 -2.411 0.481
28 C23 C C23 N N N 0 8.971 -3.037 0.119
29 C24 C C24 N N N 0 9.089 -4.412 0.779
30 C25 C C25 N N N 0 10.438 -5.037 0.417
31 O5 O O5 N N N 0 -3.408 0.529 -0.58
32 H1 H H1 N N N 0 -0.963 5.817 0.899
33 H2 H H2 N N N 0 -0.339 2.844 0.018
34 H3 H H3 N N N 0 1.372 5.16 1.023
35 H5 H H5 N N N 0 2.713 2.925 1.389
36 H6 H H6 N N N 0 1.849 2.274 -0.025
37 H7 H H7 N N N 0 3.411 4.87 -0.447
38 H8 H H8 N N N 0 5.507 3.504 -0.919
39 H9 H H9 N N N 0 4.617 1.699 0.966
40 H10 H H10 N N N 0 3.883 0.946 -0.47
41 H11 H H11 N N N 0 6.108 0.855 -1.56
42 H12 H H12 N N N 0 6.843 1.608 -0.124
43 H13 H H13 N N N 0 6.084 -0.302 1.264
44 H14 H H14 N N N 0 5.35 -1.054 -0.172
45 H15 H H15 N N N 0 -3.336 -4.028 -1.346
46 H16 H H16 N N N 0 -3.488 -4.082 0.427
47 H17 H H17 N N N 0 -4.482 -5.157 -0.585
48 H18 H H18 N N N 0 -6.665 -2.442 -1.929
49 H19 H H19 N N N 0 -5.203 -3.069 -2.729
50 H20 H H20 N N N 0 -7.085 -4.67 -2.935
51 H21 H H21 N N N 0 -5.764 -5.359 -1.961
52 H22 H H22 N N N 0 -7.226 -4.733 -1.161
53 H23 H H23 N N N 0 -3.792 -1.272 -1.105
54 H26 H H26 N N N 0 -5.122 0.407 1.982
55 H27 H H27 N N N 0 -4.679 2.875 0.921
56 H28 H H28 N N N 0 -3.281 2.341 1.884
57 H29 H H29 N N N 0 -1.862 2.484 -0.185
58 H30 H H30 N N N 0 -4.242 3.672 -1.349
59 H31 H H31 N N N 0 -3.26 5.12 0.682
60 H33 H H33 N N N 0 7.575 -1.145 -1.262
61 H34 H H34 N N N 0 8.309 -0.393 0.174
62 H35 H H35 N N N 0 7.551 -2.302 1.563
63 H36 H H36 N N N 0 6.817 -3.055 0.127
64 H37 H H37 N N N 0 9.042 -3.146 -0.963
65 H38 H H38 N N N 0 9.776 -2.393 0.473
66 H39 H H39 N N N 0 9.018 -4.302 1.861
67 H40 H H40 N N N 0 8.284 -5.055 0.425
68 H41 H H41 N N N 0 10.522 -6.017 0.888
69 H42 H H42 N N N 0 10.509 -5.146 -0.665
70 H43 H H43 N N N 0 11.243 -4.394 0.771