Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : R31

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 86


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 2.372 -1.939 -0.765
2 N2 N N2 N N N 0 2.155 -1.804 0.681
3 C3 C C3 N N N 0 3.109 -2.648 1.418
4 C4 C C4 N N N 0 4.512 -2.063 1.252
5 N5 N N5 N N N 0 4.788 -1.818 -0.161
6 C9 C C9 N Y N 0 8.014 -0.232 -0.976
7 C6 C C6 N N N 0 3.827 -1.743 -1.084
8 C7 C C7 N Y N 0 6.12 -1.656 -0.564
9 C8 C C8 N Y N 0 6.696 -0.387 -0.576
10 C10 C C10 N Y N 0 8.753 -1.335 -1.362
11 C11 C C11 N Y N 0 8.182 -2.594 -1.35
12 C15 C C15 N N N 0 5.652 3.055 0.222
13 C12 C C12 N Y N 0 6.871 -2.758 -0.947
14 O13 O O13 N N N 0 5.967 0.696 -0.197
15 C14 C C14 N N N 0 6.623 1.965 -0.235
16 C16 C C16 N N N 0 6.354 4.414 0.182
17 O17 O O17 N N N 0 5.447 5.432 0.609
18 C18 C C18 N N N 0 6.007 6.747 0.609
19 C19 C C19 N N N 0 0.77 -2.14 1.039
20 C20 C C20 S N N 0 -0.179 -1.105 0.431
21 C21 C C21 S N N 0 -1.607 -1.381 0.905
22 N22 N N22 N N N 0 0.227 0.241 0.857
23 C23 C C23 N N N 0 -2.556 -0.346 0.297
24 O24 O O24 N N N 0 -1.661 -1.297 2.33
25 C25 C C25 S N N 0 -4.001 -0.719 0.633
26 C26 C C26 N N N 0 -4.941 0.198 -0.105
27 N27 N N27 N N N 0 -6.26 -0.077 -0.143
28 O28 O O28 N N N 0 -4.511 1.184 -0.665
29 C29 C C29 N N N 0 -4.227 -0.577 2.139
30 C30 C C30 N N N 0 -7.158 0.748 -0.956
31 C31 C C31 N N N 0 -8.59 0.225 -0.823
32 C32 C C32 N N N 0 -9.513 1.074 -1.659
33 N33 N N33 N N N 0 -10.832 0.798 -1.697
34 C34 C C34 N N N 0 -8.651 -1.224 -1.308
35 C35 C C35 N N N 0 -9.023 0.292 0.642
36 O36 O O36 N N N 0 -9.069 2.004 -2.298
37 C37 C C37 N N N 0 -3.955 0.868 2.562
38 C38 C C38 N N N 0 -5.674 -0.942 2.475
39 O39 O O39 N N N 0 4.141 -1.505 -2.231
40 H1 H H1 N N N 0 2.061 -2.933 -1.087
41 H2 H H2 N N N 0 1.782 -1.188 -1.291
42 H4 H H4 N N N 0 2.842 -2.664 2.475
43 H5 H H5 N N N 0 3.083 -3.663 1.02
44 H6 H H6 N N N 0 4.58 -1.125 1.802
45 H7 H H7 N N N 0 5.247 -2.765 1.647
46 H8 H H8 N N N 0 8.463 0.75 -0.987
47 H9 H H9 N N N 0 9.78 -1.212 -1.673
48 H10 H H10 N N N 0 8.764 -3.452 -1.653
49 H11 H H11 N N N 0 6.427 -3.742 -0.939
50 H12 H H12 N N N 0 7.488 1.947 0.429
51 H13 H H13 N N N 0 6.951 2.174 -1.253
52 H14 H H14 N N N 0 4.787 3.073 -0.441
53 H15 H H15 N N N 0 5.324 2.846 1.241
54 H16 H H16 N N N 0 7.219 4.396 0.846
55 H17 H H17 N N N 0 6.682 4.623 -0.836
56 H18 H H18 N N N 0 5.256 7.462 0.945
57 H19 H H19 N N N 0 6.864 6.777 1.281
58 H20 H H20 N N N 0 6.327 7.004 -0.401
59 H21 H H21 N N N 0 0.524 -3.129 0.653
60 H22 H H22 N N N 0 0.664 -2.137 2.124
61 H23 H H23 N N N 0 -0.138 -1.169 -0.657
62 H24 H H24 N N N 0 -1.908 -2.38 0.589
63 H25 H H25 N N N 0 -0.345 0.947 0.417
64 H26 H H26 N N N 0 0.197 0.326 1.862
65 H28 H H28 N N N 0 -2.33 0.638 0.706
66 H29 H H29 N N N 0 -2.428 -0.328 -0.786
67 H30 H H30 N N N 0 -1.479 -0.413 2.679
68 H31 H H31 N N N 0 -4.189 -1.75 0.333
69 H32 H H32 N N N 0 -6.615 -0.822 0.368
70 H33 H H33 N N N 0 -3.551 -1.245 2.673
71 H34 H H34 N N N 0 -7.114 1.781 -0.61
72 H35 H H35 N N N 0 -6.849 0.7 -2.0
73 H36 H H36 N N N 0 -11.187 0.054 -1.186
74 H37 H H37 N N N 0 -11.426 1.344 -2.235
75 H38 H H38 N N N 0 -7.983 -1.838 -0.703
76 H39 H H39 N N N 0 -9.671 -1.596 -1.214
77 H40 H H40 N N N 0 -8.342 -1.272 -2.352
78 H41 H H41 N N N 0 -8.98 1.325 0.988
79 H43 H H43 N N N 0 -8.356 -0.322 1.247
80 H42 H H42 N N N 0 -10.044 -0.08 0.737
81 H44 H H44 N N N 0 -4.685 1.528 2.091
82 H45 H H45 N N N 0 -4.036 0.952 3.645
83 H46 H H46 N N N 0 -2.951 1.156 2.249
84 H47 H H47 N N N 0 -5.881 -1.957 2.134
85 H48 H H48 N N N 0 -5.823 -0.884 3.553
86 H49 H H49 N N N 0 -6.35 -0.247 1.977