Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 31B

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 91


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O13 O O13 N N N 0 -12.837 -2.354 -0.395
2 C21 C C21 N N N 0 -11.665 -2.594 -0.604
3 C22 C C22 N Y N 0 -11.263 -3.296 -1.84
4 C27 C C27 N Y N 0 -9.917 -3.578 -2.079
5 C26 C C26 N Y N 0 -9.548 -4.234 -3.235
6 C25 C C25 N Y N 0 -10.509 -4.612 -4.157
7 C24 C C24 N Y N 0 -11.845 -4.335 -3.925
8 C23 C C23 N Y N 0 -12.228 -3.685 -2.771
9 O12 O O12 N N N 0 -10.731 -2.215 0.29
10 C20 C C20 N N N 0 -11.198 -1.524 1.479
11 C19 C C19 N N N 0 -10.003 -1.176 2.369
12 N6 N N6 N N N 0 -9.142 -0.215 1.675
13 C18 C C18 N N N 0 -8.021 0.239 2.272
14 O11 O O11 N N N 0 -7.726 -0.149 3.382
15 C17 C C17 N N N 0 -7.135 1.227 1.558
16 C16 C C16 N N N 0 -5.94 1.576 2.448
17 N5 N N5 N N N 0 -5.079 2.537 1.755
18 C15 C C15 N N N 0 -3.959 2.99 2.351
19 O10 O O10 N N N 0 -3.711 2.676 3.496
20 C14 C C14 R N N 0 -3.013 3.888 1.595
21 O9 O O9 N N N 0 -3.64 4.333 0.391
22 C1 C C1 N N N 0 -1.74 3.113 1.251
23 C C C N N N 0 -0.991 2.765 2.539
24 C2 C C2 N N N 0 -2.11 1.825 0.512
25 C3 C C3 N N N 0 -0.844 3.974 0.358
26 O O O N N N 0 0.345 3.25 0.037
27 P P P N N N 0 1.516 3.854 -0.889
28 O1 O O1 N N N 0 0.956 4.082 -2.381
29 O2 O O2 N N N 0 1.97 5.147 -0.33
30 O3 O O3 N N N 0 2.752 2.824 -0.931
31 P1 P P1 N N N 0 4.314 2.964 -1.297
32 O4 O O4 N N N 0 4.468 3.863 -2.463
33 O5 O O5 N N N 0 5.107 3.579 -0.038
34 C4 C C4 N N N 0 6.25 1.318 -2.121
35 C5 C C5 S N N 0 6.493 -0.173 -2.363
36 C13 C C13 S N N 0 7.918 -0.404 -2.913
37 O8 O O8 N N N 0 6.458 -0.897 -1.114
38 C12 C C12 R N N 0 8.37 -1.721 -2.244
39 O7 O O7 N N N 0 9.525 -1.5 -1.433
40 C6 C C6 R N N 0 7.164 -2.131 -1.369
41 O6 O O6 N N N 0 4.914 1.514 -1.654
42 C7 C C7 N Y N 0 7.638 -2.741 -0.075
43 N4 N N4 N Y N 0 7.279 -2.314 1.169
44 C11 C C11 N Y N 0 7.914 -3.12 2.08
45 C8 C C8 N Y N 0 8.664 -4.039 1.327
46 N N N N Y N 0 8.447 -3.756 0.02
47 N3 N N3 N Y N 0 7.952 -3.189 3.406
48 C10 C C10 N Y N 0 8.681 -4.104 4.01
49 N2 N N2 N Y N 0 9.401 -4.988 3.345
50 C9 C C9 N Y N 0 9.425 -4.998 2.017
51 N1 N N1 N N N 0 10.184 -5.929 1.329
52 O14 O O14 N N N 0 8.781 0.671 -2.536
53 H1 H H1 N N N 0 -9.166 -3.283 -1.362
54 H2 H H2 N N N 0 -8.507 -4.453 -3.422
55 H3 H H3 N N N 0 -10.215 -5.125 -5.06
56 H4 H H4 N N N 0 -12.59 -4.633 -4.649
57 H5 H H5 N N N 0 -13.271 -3.474 -2.589
58 H6 H H6 N N N 0 -11.714 -0.609 1.189
59 H7 H H7 N N N 0 -11.884 -2.169 2.028
60 H8 H H8 N N N 0 -10.36 -0.738 3.301
61 H9 H H9 N N N 0 -9.436 -2.081 2.586
62 H10 H H10 N N N 0 -9.378 0.095 0.787
63 H11 H H11 N N N 0 -6.779 0.789 0.626
64 H12 H H12 N N N 0 -7.702 2.132 1.341
65 H13 H H13 N N N 0 -6.297 2.014 3.38
66 H14 H H14 N N N 0 -5.373 0.671 2.666
67 H15 H H15 N N N 0 -5.315 2.847 0.867
68 H16 H H16 N N N 0 -2.759 4.75 2.212
69 H17 H H17 N N N 0 -3.894 3.618 -0.208
70 H18 H H18 N N N 0 -1.598 2.088 3.141
71 H19 H H19 N N N 0 -0.046 2.282 2.291
72 H20 H H20 N N N 0 -0.796 3.676 3.104
73 H21 H H21 N N N 0 -2.643 2.074 -0.405
74 H22 H H22 N N N 0 -1.203 1.273 0.267
75 H23 H H23 N N N 0 -2.748 1.212 1.149
76 H24 H H24 N N N 0 -1.378 4.222 -0.559
77 H28 H H28 N N N 0 6.954 1.684 -1.374
78 H25 H H25 N N N 0 -0.581 4.891 0.885
79 H26 H H26 N N N 0 0.641 3.275 -2.81
80 H27 H H27 N N N 0 5.049 3.041 0.763
81 H29 H H29 N N N 0 6.393 1.865 -3.053
82 H30 H H30 N N N 0 5.749 -0.571 -3.053
83 H31 H H31 N N N 0 7.896 -0.512 -3.997
84 H32 H H32 N N N 0 8.571 -2.483 -2.997
85 H33 H H33 N N N 0 10.296 -1.183 -1.924
86 H34 H H34 N N N 0 6.525 -2.831 -1.906
87 H35 H H35 N N N 0 6.683 -1.577 1.373
88 H37 H H37 N N N 0 8.689 -4.133 5.09
89 H38 H H38 N N N 0 10.193 -5.925 0.359
90 H39 H H39 N N N 0 10.705 -6.585 1.816
91 H40 H H40 N N N 0 9.688 0.577 -2.855