Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 9JD

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 78


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N Y N 0 1.016 -1.714 2.86
2 C12 C C2 N Y N 0 1.272 -0.845 3.905
3 C13 C C3 N Y N 0 1.27 0.52 3.688
4 C14 C C4 N Y N 0 1.014 1.025 2.426
5 C15 C C5 N Y N 0 0.758 0.168 1.375
6 C16 C C6 S N N 0 0.479 0.721 0.001
7 C18 C C7 N N N 0 1.554 1.748 -0.363
8 C19 C C8 N N N 0 2.921 1.062 -0.409
9 O23 O O1 N N N 0 6.315 3.333 -1.356
10 N21 N N1 N N N 0 5.303 1.431 -0.817
11 O24 O O2 N N N 0 7.609 1.541 -1.161
12 C01 C C9 N N N 0 2.678 -5.691 -1.234
13 C02 C C10 N N N 0 2.41 -4.352 -1.924
14 C03 C C11 N Y N 0 1.274 -3.647 -1.23
15 C04 C C12 N Y N 0 -0.028 -3.863 -1.643
16 C05 C C13 N Y N 0 -1.076 -3.218 -1.009
17 C06 C C14 N Y N 0 -0.826 -2.356 0.039
18 C07 C C15 N Y N 0 0.484 -2.135 0.459
19 C08 C C16 N Y N 0 1.535 -2.791 -0.179
20 C09 C C17 N Y N 0 0.758 -1.209 1.586
21 F11 F F1 N N N 0 1.023 -3.048 3.072
22 C25 C C20 N N N 0 8.752 2.371 -1.493
23 O17 O O3 N N N 0 0.495 -0.342 -0.953
24 C20 C C18 N N N 0 3.995 2.089 -0.773
25 C22 C C19 N N N 0 6.406 2.145 -1.12
26 C26 C C21 R N N 0 -0.894 1.395 -0.009
27 C28 C C22 N N N 0 -0.904 2.55 0.996
28 N31 N N2 N N N 0 -3.259 1.066 0.495
29 C29 C C23 N N N 0 -2.267 3.245 0.964
30 C30 C C24 N N N 0 -3.355 2.245 1.366
31 C32 C C25 N N N 0 -1.967 0.375 0.382
32 C33 C C26 N N N 0 -4.335 0.626 -0.187
33 O34 O O4 N N N 0 -4.242 -0.349 -0.902
34 C35 C C27 N N N 0 -5.653 1.345 -0.061
35 C36 C C28 S N N 0 -6.7 0.648 -0.931
36 O38 O O5 N N N 0 -6.334 0.769 -2.306
37 C39 C C29 N N N 0 -8.066 1.301 -0.707
38 N40 N N3 N N N 0 -9.092 0.556 -1.449
39 H1 H H1 N N N 0 1.472 -1.234 4.893
40 H2 H H2 N N N 0 1.47 1.196 4.507
41 H3 H H3 N N N 0 1.014 2.093 2.262
42 H4 H H4 N N N 0 1.33 2.178 -1.34
43 H5 H H5 N N N 0 1.57 2.539 0.387
44 H6 H H6 N N N 0 3.144 0.632 0.567
45 H10 H H10 N N N 0 2.942 -5.516 -0.191
46 H7 H H7 N N N 0 2.905 0.271 -1.159
47 H8 H H8 N N N 0 5.376 0.483 -0.629
48 H9 H H9 N N N 0 3.499 -6.201 -1.737
49 H11 H H11 N N N 0 1.782 -6.31 -1.283
50 H12 H H12 N N N 0 3.306 -3.733 -1.876
51 H13 H H13 N N N 0 2.146 -4.527 -2.967
52 H14 H H14 N N N 0 -0.227 -4.536 -2.463
53 H15 H H15 N N N 0 -2.091 -3.39 -1.336
54 H16 H H16 N N N 0 -1.645 -1.854 0.532
55 H17 H H17 N N N 0 2.552 -2.626 0.146
56 H18 H H18 N N N 0 0.322 -0.059 -1.861
57 H19 H H19 N N N 0 3.771 2.518 -1.75
58 H20 H H20 N N N 0 4.01 2.879 -0.023
59 H21 H H21 N N N 0 8.85 3.168 -0.756
60 H22 H H22 N N N 0 9.656 1.762 -1.491
61 H23 H H23 N N N 0 8.61 2.807 -2.482
62 H24 H H24 N N N 0 -1.104 1.78 -1.007
63 H28 H H28 N N N 0 -2.464 3.613 -0.043
64 H25 H H25 N N N 0 -0.718 2.161 1.997
65 H26 H H26 N N N 0 -0.125 3.266 0.734
66 H27 H H27 N N N 0 -2.265 4.082 1.663
67 H32 H H32 N N N 0 -1.71 -0.078 1.34
68 H29 H H29 N N N 0 -3.211 1.946 2.404
69 H30 H H30 N N N 0 -4.336 2.707 1.252
70 H31 H H31 N N N 0 -2.032 -0.399 -0.383
71 H33 H H33 N N N 0 -5.977 1.33 0.98
72 H34 H H34 N N N 0 -5.536 2.378 -0.39
73 H35 H H35 N N N 0 -6.753 -0.407 -0.66
74 H36 H H36 N N N 0 -6.268 1.682 -2.617
75 H37 H H37 N N N 0 -8.305 1.287 0.356
76 H38 H H38 N N N 0 -8.038 2.331 -1.06
77 H39 H H39 N N N 0 -9.094 -0.418 -1.186
78 H40 H H40 N N N 0 -10.004 0.968 -1.318