Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 85U

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 C1 C C1 N Y N 0 12.34 1.429 -0.327
2 C10 C C2 N Y N 0 8.811 1.027 -1.377
3 C11 C C3 N N N 0 13.505 2.287 -0.615
4 C12 C C4 N N N 0 15.774 2.963 -0.302
5 C13 C C5 N N N 0 5.511 -1.088 0.082
6 C14 C C6 N N N 0 3.088 -1.327 0.185
7 C15 C C7 N N N 0 2.062 -2.443 0.394
8 C16 C C8 N N N 0 0.651 -1.855 0.336
9 C17 C C9 N N N 0 -2.819 -3.226 0.651
10 C18 C C10 N N N 0 -7.441 -3.08 -0.193
11 C19 C C11 R N N 0 -8.702 -2.261 -0.294
12 C2 C C12 N Y N 0 12.449 0.4 0.627
13 C20 C C13 S N N 0 -8.916 -1.779 -1.746
14 C21 C C14 R N N 0 -9.498 -0.357 -1.588
15 C22 C C15 R N N 0 -9.567 -0.147 -0.059
16 C23 C C16 N Y N 0 -8.007 1.708 0.646
17 C24 C C17 N Y N 0 -9.341 3.417 0.684
18 C25 C C18 N Y N 0 -9.988 4.661 0.78
19 C26 C C19 N Y N 0 -11.957 3.648 0.127
20 C27 C C20 N Y N 0 -10.101 2.303 0.291
21 C28 C C21 N N N 0 -0.375 -2.971 0.545
22 C29 C C22 N N N 0 -5.252 -3.57 0.771
23 C3 C C23 N Y N 0 11.386 -0.4 0.913
24 C30 C C24 N N N 0 -6.513 -2.751 0.671
25 C4 C C25 N Y N 0 10.156 -0.202 0.248
26 C5 C C26 N Y N 0 10.037 0.832 -0.715
27 C6 C C27 N Y N 0 11.145 1.646 -0.995
28 C7 C C28 N Y N 0 9.047 -1.015 0.525
29 C8 C C29 N Y N 0 7.86 -0.797 -0.141
30 C9 C C30 N Y N 0 7.751 0.226 -1.09
31 N1 N N1 N N N 0 6.754 -1.606 0.134
32 N10 N N2 N Y N 0 -11.393 2.463 0.025
33 N2 N N3 N N N 0 4.44 -1.89 0.242
34 N3 N N4 N N N 0 -1.727 -2.408 0.488
35 N4 N N5 N N N 0 -4.088 -2.698 0.598
36 N5 N N6 N N N 0 -2.653 -4.503 0.855
37 N6 N N7 N Y N 0 -9.234 1.239 0.281
38 N7 N N8 N Y N 0 -8.072 2.986 0.882
39 N8 N N9 N N N 0 -9.291 5.794 1.162
40 N9 N N10 N Y N 0 -11.284 4.724 0.493
41 O1 O O1 N N N 0 11.508 -1.389 1.836
42 O2 O O2 N N N 0 14.67 2.081 0.031
43 O3 O O3 N N N 0 13.415 3.179 -1.434
44 O4 O O4 N N N 0 5.356 0.103 -0.108
45 O5 O O5 N N N 0 -9.845 -2.628 -2.423
46 O6 O O6 N N N 0 -10.804 -0.284 -2.162
47 O7 O O7 N N N 0 -8.577 -1.049 0.482
48 H5 H H1 N N N 0 8.712 1.813 -2.112
49 H9 H H2 N N N 0 16.649 2.689 0.288
50 H10 H H3 N N N 0 16.007 2.869 -1.363
51 H8 H H4 N N N 0 15.495 3.993 -0.082
52 H12 H H5 N N N 0 2.928 -0.864 -0.788
53 H13 H H6 N N N 0 2.974 -0.577 0.968
54 H15 H H7 N N N 0 2.176 -3.193 -0.388
55 H14 H H8 N N N 0 2.223 -2.906 1.368
56 H17 H H9 N N N 0 0.537 -1.105 1.118
57 H16 H H10 N N N 0 0.49 -1.392 -0.638
58 H21 H H11 N N N 0 -7.303 -3.939 -0.833
59 H22 H H12 N N N 0 -9.56 -2.842 0.044
60 H1 H H13 N N N 0 13.388 0.244 1.138
61 H23 H H14 N N N 0 -7.967 -1.749 -2.282
62 H25 H H15 N N N 0 -8.838 0.379 -2.047
63 H27 H H16 N N N 0 -10.558 -0.403 0.315
64 H28 H H17 N N N 0 -7.114 1.106 0.73
65 H31 H H18 N N N 0 -13.009 3.744 -0.097
66 H33 H H19 N N N 0 -0.261 -3.721 -0.238
67 H32 H H20 N N N 0 -0.215 -3.434 1.518
68 H34 H H21 N N N 0 -5.206 -4.048 1.75
69 H35 H H22 N N N 0 -5.253 -4.334 -0.006
70 H36 H H23 N N N 0 -6.651 -1.892 1.311
71 H2 H H24 N N N 0 11.066 2.439 -1.723
72 H3 H H25 N N N 0 9.123 -1.806 1.256
73 H4 H H26 N N N 0 6.812 0.381 -1.601
74 H7 H H27 N N N 0 6.881 -2.54 0.362
75 H11 H H28 N N N 0 4.563 -2.84 0.393
76 H18 H H29 N N N 0 -1.851 -1.458 0.337
77 H19 H H30 N N N 0 -4.212 -1.748 0.446
78 H20 H H31 N N N 0 -1.758 -4.876 0.892
79 H30 H H32 N N N 0 -8.345 5.735 1.368
80 H29 H H33 N N N 0 -9.749 6.647 1.224
81 H6 H H34 N N N 0 11.291 -1.114 2.738
82 H24 H H35 N N N 0 -9.556 -3.548 -2.496
83 H26 H H36 N N N 0 -10.828 -0.468 -3.112