Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 9XR

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 74


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O7N O O1 N N N 0 -7.658 -2.933 1.185
2 C7N C C1 N N N 0 -7.814 -3.447 0.095
3 N7N N N1 N N N 0 -8.223 -4.728 0.006
4 C3N C C2 N Y N 0 -7.561 -2.664 -1.134
5 C2N C C3 N Y N 0 -7.133 -1.34 -1.045
6 C4N C C4 N Y N 0 -7.745 -3.251 -2.388
7 C5N C C5 N Y N 0 -7.508 -2.519 -3.533
8 C6N C C6 N Y N 0 -7.089 -1.204 -3.445
9 C1N C C7 N Y N 0 -6.893 -0.615 -2.202
10 C1D C C8 S N N 0 -6.405 1.381 -0.816
11 O4D O O2 N N N 0 -5.079 1.279 -0.282
12 C2D C C9 R N N 0 -6.728 2.882 -0.977
13 O2D O O3 N N N 0 -6.489 3.312 -2.319
14 C3D C C10 S N N 0 -5.724 3.544 0.006
15 O3D O O4 N N N 0 -5.387 4.867 -0.414
16 C4D C C11 R N N 0 -4.511 2.589 -0.126
17 C5D C C12 N N N 0 -3.65 2.647 1.137
18 O5D O O5 N N N 0 -2.51 1.8 0.976
19 PN P P1 N N N 0 -1.386 1.617 2.114
20 O1N O O6 N N N 0 -0.621 3.016 2.342
21 O2N O O7 N N N 0 -2.027 1.193 3.379
22 O3 O O8 N N N 0 -0.327 0.497 1.647
23 PA P P2 N N N 0 0.741 -0.424 2.423
24 O1A O O9 N N N 0 -0.016 -1.68 3.088
25 O2A O O10 N N N 0 1.401 0.371 3.483
26 O5B O O11 N N N 0 1.848 -0.955 1.382
27 C5B C C13 N N N 0 2.992 -1.713 1.781
28 C4B C C14 R N N 0 3.833 -2.054 0.549
29 C3B C C15 S N N 0 5.011 -2.961 0.954
30 O3B O O12 N N N 0 4.941 -4.21 0.262
31 C2B C C16 R N N 0 6.267 -2.169 0.518
32 O2B O O13 N N N 0 7.241 -3.038 -0.065
33 C1B C C17 R N N 0 5.688 -1.199 -0.542
34 O4B O O14 N N N 0 4.391 -0.853 -0.009
35 N9A N N2 N Y N 0 6.53 -0.006 -0.665
36 C4A C C18 N Y N 0 7.646 0.122 -1.452
37 C5A C C19 N Y N 0 8.118 1.429 -1.247
38 N7A N N3 N Y N 0 7.28 2.021 -0.361
39 C8A C C20 N Y N 0 6.345 1.182 -0.023
40 N3A N N4 N Y N 0 8.301 -0.677 -2.289
41 C2A C C21 N Y N 0 9.377 -0.252 -2.918
42 N1A N N5 N Y N 0 9.857 0.967 -2.757
43 C6A C C22 N Y N 0 9.27 1.836 -1.941
44 N6A N N6 N N N 0 9.781 3.112 -1.778
45 N8N N N7 N N N 0 -6.469 0.714 -2.118
46 H71N H H1 N N N 0 -8.392 -5.24 0.812
47 H5N H H5 N N N 0 -7.65 -2.974 -4.502
48 H72N H H2 N N N 0 -8.347 -5.138 -0.864
49 H2N H H3 N N N 0 -6.99 -0.881 -0.078
50 H4N H H4 N N N 0 -8.072 -4.277 -2.461
51 H6N1 H H6 N N N 0 -6.904 -0.637 -4.345
52 H3D H H10 N N N 0 -6.114 3.545 1.024
53 H1D H H7 N N N 0 -7.116 0.922 -0.129
54 H2D H H8 N N N 0 -7.756 3.092 -0.682
55 HO2N H H9 N N N 0 -7.034 2.862 -2.979
56 HO3N H H11 N N N 0 -6.141 5.472 -0.45
57 H4D H H12 N N N 0 -3.917 2.851 -1.002
58 H51N H H13 N N N 0 -3.319 3.672 1.305
59 H52N H H14 N N N 0 -4.235 2.31 1.992
60 H1 H H15 N N N 0 -0.177 3.354 1.553
61 H2 H H16 N N N 0 -0.472 -2.247 2.451
62 H52A H H17 N N N 0 3.59 -1.128 2.479
63 H51A H H18 N N N 0 2.667 -2.634 2.265
64 H4B H H19 N N N 0 3.214 -2.556 -0.195
65 H3B H H20 N N N 0 5.016 -3.122 2.032
66 HO3A H H21 N N N 0 5.659 -4.82 0.479
67 H2B H H22 N N N 0 6.692 -1.62 1.358
68 H8A H H25 N N N 0 5.541 1.395 0.667
69 HO2A H H23 N N N 0 7.568 -3.722 0.536
70 H1B H H24 N N N 0 5.588 -1.698 -1.506
71 H2A H H26 N N N 0 9.885 -0.926 -3.591
72 H61A H H27 N N N 0 9.344 3.737 -1.179
73 H62A H H28 N N N 0 10.577 3.381 -2.263
74 HN8N H H29 N N N 0 -6.218 1.195 -2.922