Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 6I1

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 C13 C C1 N Y N 0 -2.334 1.587 -0.038
2 C15 C C2 N Y N 0 -3.378 -0.36 0.956
3 C17 C C3 N N N 0 -0.192 2.268 0.72
4 C21 C C4 N N N 0 -3.357 -1.504 1.938
5 C22 C C5 N N N 0 -1.261 3.57 -1.029
6 C26 C C6 N N N 0 2.093 0.268 1.755
7 C1 C C7 N N N 0 -8.364 -1.427 -2.524
8 C2 C C8 N N N 0 -9.411 -0.59 -1.791
9 C3 C C9 N N N 0 -8.759 0.703 -1.282
10 C4 C C10 N N N 0 -7.693 0.311 -0.28
11 C5 C C11 N N N 0 -6.833 -0.83 -0.61
12 C6 C C12 N N N 0 -7.154 -1.651 -1.665
13 C8 C C13 N N N 0 -5.626 -1.095 0.188
14 C9 C C14 N Y N 0 -4.477 -0.171 0.118
15 C11 C C15 N Y N 0 -4.49 0.894 -0.791
16 C12 C C16 N Y N 0 -3.437 1.761 -0.864
17 C14 C C17 N Y N 0 -2.306 0.519 0.879
18 C29 C C20 N Y N 0 4.185 -0.693 1.621
19 C19 C C18 N N N 0 -1.118 0.368 1.74
20 C25 C C19 N N N 0 1.077 1.138 2.449
21 C30 C C21 N Y N 0 4.329 -2.133 1.867
22 C31 C C22 N Y N 0 5.183 -2.887 1.207
23 C32 C C23 N Y N 0 6.039 -2.275 0.175
24 C33 C C24 N Y N 0 5.89 -0.828 -0.068
25 C34 C C25 N Y N 0 4.905 -0.065 0.721
26 C35 C C26 N Y N 0 6.911 -2.966 -0.52
27 C36 C C27 N Y N 0 7.74 -2.293 -1.543
28 C37 C C28 N Y N 0 7.604 -1.005 -1.754
29 C38 C C29 N Y N 0 6.622 -0.234 -0.97
30 C39 C C30 N Y N 0 6.479 1.212 -1.218
31 C40 C C31 N Y N 0 5.497 1.98 -0.435
32 C41 C C32 N Y N 0 4.757 1.38 0.477
33 C42 C C33 N Y N 0 8.4 -0.276 -2.757
34 C43 C C34 N Y N 0 8.21 1.016 -2.917
35 C44 C C35 N Y N 0 7.231 1.778 -2.132
36 N16 N N1 N N N 0 -1.252 2.449 -0.087
37 N18 N N2 N N N 0 -0.115 1.263 1.607
38 O7 O O1 N N N 0 -6.355 -2.694 -1.936
39 O10 O O2 N N N 0 -5.574 -2.077 0.905
40 O20 O O3 N N N 0 -7.556 0.921 0.761
41 O23 O O4 N N N 0 -1.044 -0.537 2.548
42 O24 O O5 N N N 0 0.737 3.048 0.643
43 O27 O O6 N N N 0 3.272 0.013 2.345
44 O28 O O7 N N N 0 1.847 -0.199 0.669
45 H1 H H1 N N N 0 -2.987 -2.401 1.442
46 H2 H H2 N N N 0 -2.704 -1.254 2.773
47 H3 H H3 N N N 0 -4.367 -1.684 2.307
48 H4 H H4 N N N 0 -1.705 4.443 -0.551
49 H5 H H5 N N N 0 -0.239 3.801 -1.33
50 H6 H H6 N N N 0 -1.847 3.301 -1.909
51 H7 H H7 N N N 0 -8.798 -2.391 -2.789
52 H8 H H8 N N N 0 -8.064 -0.908 -3.434
53 H9 H H9 N N N 0 -10.223 -0.343 -2.475
54 H10 H H10 N N N 0 -9.804 -1.156 -0.947
55 H11 H H11 N N N 0 -8.304 1.241 -2.114
56 H12 H H12 N N N 0 -9.508 1.331 -0.801
57 H15 H H15 N N N 0 -5.344 1.035 -1.438
58 H16 H H16 N N N 0 -3.461 2.582 -1.565
59 H17 H H17 N N N 0 0.802 0.687 3.402
60 H18 H H18 N N N 0 1.503 2.126 2.624
61 H19 H H19 N N N 0 3.708 -2.594 2.621
62 H20 H H20 N N N 0 5.256 -3.943 1.421
63 H21 H H21 N N N 0 7.023 -4.025 -0.346
64 H22 H H22 N N N 0 8.459 -2.861 -2.115
65 H23 H H23 N N N 0 5.383 3.04 -0.607
66 H24 H H24 N N N 0 4.039 1.95 1.048
67 H25 H H25 N N N 0 9.133 -0.798 -3.356
68 H26 H H26 N N N 0 8.8 1.538 -3.655
69 H27 H H27 N N N 0 7.125 2.838 -2.314
70 H28 H H28 N N N 0 -5.568 -2.799 -1.385