Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 52N

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 96


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 R N N 0 -3.524 0.16 0.44
2 O1 O O1 N N N 0 -2.101 0.066 0.345
3 P1 P P1 N N N 0 -1.104 1.125 1.035
4 C2 C C2 S N N 0 -4.121 0.294 -0.962
5 O2 O O2 N N N 0 -3.607 1.472 -1.588
6 C3 C C3 S N N 0 -5.644 0.395 -0.86
7 O3 O O3 N N N 0 -5.995 1.54 -0.081
8 P3 P P3 N N N 0 -6.886 2.752 -0.655
9 C4 C C4 R N N 0 -6.195 -0.866 -0.19
10 O4 O O4 N N N 0 -7.617 -0.772 -0.094
11 P4 P P4 N N N 0 -8.614 -1.831 -0.785
12 C5 C C5 R N N 0 -5.597 -1.0 1.212
13 O5 O O5 N N N 0 -5.948 0.145 1.991
14 C6 C C6 S N N 0 -4.074 -1.1 1.11
15 O6 O O6 N N N 0 -3.516 -1.226 2.42
16 C7 C C7 N N N 0 1.523 1.609 0.981
17 C8 C C8 R N N 0 2.812 1.003 0.422
18 C9 C C9 N N N 0 3.984 1.945 0.707
19 C10 C C10 N N N 0 6.31 2.143 0.229
20 C11 C C11 N N N 0 7.596 1.669 -0.399
21 O11 O O11 N N N 0 -1.448 2.493 0.585
22 C12 C C12 N N N 0 8.717 2.657 -0.072
23 O12 O O12 N N N 0 -1.25 1.034 2.636
24 C13 C C13 N N N 0 10.023 2.176 -0.709
25 O13 O O13 N N N 0 0.413 0.788 0.614
26 C14 C C14 N N N 0 11.144 3.164 -0.382
27 O14 O O14 N N N 0 3.058 -0.281 1.054
28 C15 C C15 N N N 0 12.449 2.684 -1.02
29 O15 O O15 N N N 0 5.185 1.429 0.074
30 C16 C C16 N N N 0 13.571 3.672 -0.693
31 O16 O O16 N N N 0 6.293 3.166 0.872
32 C17 C C17 N N N 0 14.876 3.191 -1.33
33 O17 O O17 N N N 0 4.064 -0.946 -0.798
34 C18 C C18 N N N 0 3.71 -1.202 0.329
35 C19 C C19 N N N 0 4.001 -2.558 0.919
36 C20 C C20 N N N 0 4.748 -3.412 -0.108
37 C21 C C21 N N N 0 5.044 -4.788 0.492
38 C22 C C22 N N N 0 5.791 -5.642 -0.535
39 C23 C C23 N N N 0 6.086 -7.018 0.064
40 C24 C C24 N N N 0 6.833 -7.872 -0.962
41 C25 C C25 N N N 0 7.128 -9.248 -0.363
42 O31 O O31 N N N 0 -7.192 3.801 0.528
43 O32 O O32 N N N 0 -6.085 3.495 -1.837
44 O33 O O33 N N N 0 -8.162 2.218 -1.183
45 O41 O O41 N N N 0 -8.469 -1.74 -2.386
46 O42 O O42 N N N 0 -8.27 -3.198 -0.335
47 O43 O O43 N N N 0 -10.131 -1.493 -0.364
48 H1 H H1 N N N 0 -3.791 1.034 1.034
49 H2 H H2 N N N 0 -3.854 -0.579 -1.556
50 HO2 H HO2 N N N 0 -2.645 1.477 -1.686
51 H3 H H3 N N N 0 -6.07 0.491 -1.859
52 H4 H H4 N N N 0 -5.927 -1.739 -0.784
53 H5 H H5 N N N 0 -5.99 -1.898 1.69
54 HO5 H HO5 N N N 0 -5.602 0.128 2.894
55 H6 H H6 N N N 0 -3.807 -1.974 0.516
56 HO6 H HO6 N N N 0 -3.822 -2.005 2.904
57 H7 H H7 N N N 0 1.59 1.665 2.067
58 H7A H H7A N N N 0 1.385 2.61 0.573
59 H8 H H8 N N N 0 2.711 0.864 -0.655
60 H9 H H9 N N N 0 3.76 2.934 0.308
61 H9A H H9A N N N 0 4.141 2.014 1.783
62 H11 H H11 N N N 0 7.852 0.686 -0.004
63 H11A H H11A N N N 0 7.471 1.606 -1.48
64 H12 H H12 N N N 0 8.462 3.641 -0.466
65 H12A H H12A N N N 0 8.843 2.72 1.009
66 HO12 H HO12 N N N 0 -1.039 0.164 3.001
67 H13 H H13 N N N 0 10.278 1.193 -0.315
68 H13A H H13A N N N 0 9.898 2.113 -1.79
69 H14 H H14 N N N 0 10.888 4.148 -0.776
70 H14A H H14A N N N 0 11.269 3.227 0.699
71 H15 H H15 N N N 0 12.705 1.7 -0.626
72 H15A H H15A N N N 0 12.324 2.621 -2.101
73 H16 H H16 N N N 0 13.315 4.655 -1.087
74 H16A H H16A N N N 0 13.696 3.735 0.388
75 H17 H H17 N N N 0 14.751 3.128 -2.411
76 H17A H H17A N N N 0 15.675 3.895 -1.097
77 H17B H H17B N N N 0 15.132 2.207 -0.936
78 H19 H H19 N N N 0 4.616 -2.442 1.811
79 H19A H H19A N N N 0 3.064 -3.047 1.185
80 H20 H H20 N N N 0 4.133 -3.529 -1.0
81 H20A H H20A N N N 0 5.685 -2.923 -0.374
82 H21 H H21 N N N 0 5.659 -4.672 1.384
83 H21A H H21A N N N 0 4.107 -5.277 0.758
84 H22 H H22 N N N 0 5.175 -5.759 -1.427
85 H22A H H22A N N N 0 6.728 -5.153 -0.801
86 H23 H H23 N N N 0 6.701 -6.902 0.956
87 H23A H H23A N N N 0 5.149 -7.507 0.331
88 H24 H H24 N N N 0 6.218 -7.989 -1.855
89 H24A H H24A N N N 0 7.77 -7.383 -1.229
90 H25 H H25 N N N 0 6.191 -9.737 -0.097
91 H25A H H25A N N N 0 7.661 -9.856 -1.095
92 H25B H H25B N N N 0 7.744 -9.132 0.529
93 HO31 H HO31 N N N 0 -7.726 4.558 0.253
94 HO32 H HO32 N N N 0 -5.237 3.87 -1.562
95 HO41 H HO41 N N N 0 -8.679 -0.87 -2.751
96 HO43 H HO43 N N N 0 -10.788 -2.093 -0.744