Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : I63

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 83


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O42 O O42 N N N 0 4.143 -7.043 -0.164
2 C40 C C40 N N N 0 3.302 -6.117 -0.649
3 O41 O O41 N N N 0 2.923 -6.186 -1.794
4 C39 C C39 N N N 0 2.829 -4.991 0.234
5 O38 O O38 N N N 0 1.948 -4.143 -0.505
6 C26 C C26 N Y N 0 1.429 -3.071 0.15
7 C25 C C25 N Y N 0 0.567 -2.206 -0.508
8 C27 C C27 N Y N 0 1.756 -2.844 1.479
9 C28 C C28 N Y N 0 1.227 -1.754 2.142
10 C29 C C29 N Y N 0 0.372 -0.89 1.483
11 C24 C C24 N Y N 0 0.04 -1.117 0.161
12 C15 C C15 R N N 0 -0.897 -0.177 -0.553
13 C16 C C16 N N N 0 -2.341 -0.51 -0.173
14 C17 C C17 N N N 0 -3.297 0.36 -0.99
15 C18 C C18 N Y N 0 -4.72 0.032 -0.616
16 C23 C C23 N Y N 0 -5.4 -0.961 -1.296
17 C22 C C22 N Y N 0 -6.706 -1.265 -0.957
18 C21 C C21 N Y N 0 -7.334 -0.576 0.067
19 O34 O O34 N N N 0 -8.618 -0.874 0.402
20 C35 C C35 N N N 0 -9.259 -1.911 -0.344
21 C20 C C20 N Y N 0 -6.649 0.423 0.752
22 O36 O O36 N N N 0 -7.261 1.103 1.759
23 C37 C C37 N N N 0 -6.497 2.115 2.418
24 C19 C C19 N Y N 0 -5.339 0.72 0.411
25 O1 O O1 N N N 0 -0.598 1.19 -0.166
26 C1 C C1 N N N 0 0.304 1.85 -0.909
27 O2 O O2 N N N 0 0.826 1.304 -1.852
28 C2 C C2 S N N 0 0.665 3.273 -0.568
29 N7 N N7 N N N 0 2.07 3.336 -0.142
30 C6 C C6 N N N 0 2.677 4.652 0.098
31 C5 C C5 N N N 0 2.474 5.523 -1.146
32 C4 C C4 N N N 0 0.984 5.572 -1.492
33 C3 C C3 N N N 0 0.482 4.16 -1.804
34 C8 C C8 N N N 0 2.788 2.208 0.027
35 O3 O O3 N N N 0 2.317 1.136 -0.294
36 C9 C C9 N N N 0 4.159 2.276 0.607
37 O4 O O4 N N N 0 4.569 3.315 1.066
38 C10 C C10 N N N 0 5.034 1.049 0.62
39 C13 C C13 N N N 0 4.348 -0.058 1.423
40 C14 C C14 N N N 0 5.263 0.57 -0.815
41 C11 C C11 N N N 0 6.379 1.389 1.265
42 C12 C C12 N N N 0 7.267 0.143 1.279
43 H1 H H1 N N N 0 4.418 -7.746 -0.768
44 H2 H H2 N N N 0 2.301 -5.401 1.095
45 H3 H H3 N N N 0 3.688 -4.413 0.576
46 H4 H H4 N N N 0 0.308 -2.383 -1.541
47 H5 H H5 N N N 0 2.424 -3.518 1.994
48 H6 H H6 N N N 0 1.481 -1.577 3.177
49 H7 H H7 N N N 0 -0.041 -0.039 2.004
50 H8 H H8 N N N 0 -0.77 -0.286 -1.63
51 H9 H H9 N N N 0 -2.538 -1.562 -0.382
52 H10 H H10 N N N 0 -2.491 -0.317 0.889
53 H11 H H11 N N N 0 -3.1 1.411 -0.782
54 H12 H H12 N N N 0 -3.147 0.166 -2.053
55 H13 H H13 N N N 0 -4.911 -1.499 -2.095
56 H14 H H14 N N N 0 -7.236 -2.04 -1.49
57 H15 H H15 N N N 0 -10.276 -2.048 0.024
58 H16 H H16 N N N 0 -9.288 -1.635 -1.398
59 H17 H H17 N N N 0 -8.702 -2.841 -0.226
60 H18 H H18 N N N 0 -7.102 2.577 3.197
61 H19 H H19 N N N 0 -5.609 1.666 2.865
62 H20 H H20 N N N 0 -6.196 2.872 1.694
63 H21 H H21 N N N 0 -4.804 1.492 0.944
64 H22 H H22 N N N 0 0.023 3.63 0.237
65 H23 H H23 N N N 0 2.199 5.124 0.957
66 H24 H H24 N N N 0 3.743 4.533 0.294
67 H25 H H25 N N N 0 2.835 6.532 -0.947
68 H26 H H26 N N N 0 3.029 5.096 -1.982
69 H27 H H27 N N N 0 0.428 5.975 -0.646
70 H28 H H28 N N N 0 0.835 6.211 -2.362
71 H29 H H29 N N N 0 1.054 3.745 -2.634
72 H30 H H30 N N N 0 -0.574 4.201 -2.073
73 H31 H H31 N N N 0 3.39 -0.299 0.964
74 H32 H H32 N N N 0 4.981 -0.945 1.433
75 H33 H H33 N N N 0 4.185 0.283 2.446
76 H34 H H34 N N N 0 5.752 1.359 -1.388
77 H35 H H35 N N N 0 5.896 -0.317 -0.805
78 H36 H H36 N N N 0 4.305 0.329 -1.275
79 H37 H H37 N N N 0 6.868 2.177 0.693
80 H38 H H38 N N N 0 6.216 1.73 2.287
81 H39 H H39 N N N 0 7.43 -0.198 0.256
82 H40 H H40 N N N 0 8.226 0.385 1.738
83 H41 H H41 N N N 0 6.778 -0.646 1.851