Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 59S

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 81


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C26 C C9 N N N 0 -3.659 0.58 -1.039
2 C27 C C22 N N N 0 -4.887 0.384 -0.269
3 C28 C C10 N N N 0 -6.079 0.334 -0.9
4 C29 C C23 N Y N 0 -7.313 0.137 -0.125
5 C30 C C24 N Y N 0 -7.255 0.007 1.267
6 C31 C C25 N Y N 0 -8.414 -0.177 1.987
7 C32 C C26 N Y N 0 -9.639 -0.234 1.334
8 C34 C C27 N N N 0 -12.004 -0.464 1.316
9 C35 C C28 N Y N 0 -9.703 -0.106 -0.048
10 C36 C C29 N Y N 0 -8.55 0.084 -0.778
11 O37 O O4 N N N 0 -3.713 0.698 -2.249
12 O33 O O3 N N N 0 -10.779 -0.416 2.049
13 N25 N N4 N N N 0 -2.469 0.631 -0.409
14 C21 C C6 S N N 0 -1.24 0.827 -1.181
15 C20 C C5 N N N 0 -0.072 0.255 -0.419
16 O38 O O5 N N N 0 -0.157 0.077 0.778
17 C22 C C7 N N N 0 -1.015 2.323 -1.411
18 C24 C C8 N N N 0 -2.129 2.874 -2.303
19 C23 C C21 N N N 0 -1.03 3.053 -0.066
20 N19 N N3 N N N 0 1.068 -0.057 -1.067
21 C14 C C18 S N N 0 2.161 -0.719 -0.35
22 C13 C C2 N N N 0 3.467 -0.42 -1.039
23 O39 O O6 N N N 0 3.484 0.278 -2.031
24 C15 C C3 N N N 0 1.923 -2.231 -0.342
25 C16 C C19 N N N 0 0.662 -2.544 0.465
26 C17 C C4 N N N 0 0.354 -4.04 0.37
27 C18 C C20 N N N 0 0.884 -2.161 1.929
28 C07 C C16 N N N 0 7.022 2.746 1.392
29 C03 C C12 S N N 0 5.887 -0.636 -1.222
30 C06 C C15 N N N 0 6.938 1.716 0.259
31 C10 C C1 N N N 0 7.905 0.152 1.927
32 C04 C C13 N N N 0 7.031 -0.736 -0.211
33 C02 C C11 N N N 0 6.11 -1.63 -2.332
34 C05 C C14 S N N 0 6.842 0.32 0.88
35 C08 C C17 N N N 0 8.357 2.569 2.116
36 N12 N N1 N N N 0 4.617 -0.927 -0.552
37 N09 N N2 N N N 0 8.558 1.173 2.484
38 O01 O O1 N N N 0 5.292 -2.493 -2.542
39 O11 O O2 N N N 0 8.182 -0.972 2.29
40 H33 H H33 N N N 0 -4.84 0.28 0.805
41 H12 H H12 N N N 0 -6.127 0.438 -1.974
42 H35 H H35 N N N 0 -6.303 0.05 1.775
43 H36 H H36 N N N 0 -8.37 -0.278 3.062
44 H37 H H37 N N N 0 -12.835 -0.613 2.006
45 H39 H H39 N N N 0 -11.97 -1.29 0.605
46 H38 H H38 N N N 0 -12.143 0.473 0.777
47 H40 H H40 N N N 0 -10.657 -0.151 -0.551
48 H41 H H41 N N N 0 -8.601 0.189 -1.851
49 H44 H H44 N N N 0 -2.427 0.537 0.556
50 H7 H H7 N N N 0 -1.329 0.321 -2.142
51 H8 H H8 N N N 0 -0.052 2.475 -1.897
52 H9 H H9 N N N 0 -3.079 2.825 -1.77
53 H10 H H10 N N N 0 -1.91 3.911 -2.559
54 H11 H H11 N N N 0 -2.193 2.28 -3.214
55 H30 H H30 N N N 0 -0.236 2.661 0.569
56 H31 H H31 N N N 0 -0.87 4.119 -0.23
57 H32 H H32 N N N 0 -1.993 2.901 0.42
58 H43 H H43 N N N 0 1.164 0.156 -2.009
59 H25 H H25 N N N 0 2.198 -0.351 0.675
60 H2 H H2 N N N 0 1.798 -2.585 -1.365
61 H3 H H3 N N N 0 2.779 -2.73 0.113
62 H26 H H26 N N N 0 -0.177 -1.975 0.064
63 H4 H H4 N N N 0 1.193 -4.609 0.771
64 H5 H H5 N N N 0 -0.544 -4.264 0.945
65 H6 H H6 N N N 0 0.196 -4.313 -0.673
66 H27 H H27 N N N 0 1.722 -2.73 2.331
67 H28 H H28 N N N 0 1.103 -1.095 1.997
68 H29 H H29 N N N 0 -0.015 -2.385 2.504
69 H21 H H21 N N N 0 6.961 3.752 0.977
70 H22 H H22 N N N 0 6.202 2.586 2.093
71 H15 H H15 N N N 0 5.857 0.371 -1.637
72 H19 H H19 N N N 0 7.831 1.78 -0.362
73 H20 H H20 N N N 0 6.053 1.909 -0.347
74 H16 H H16 N N N 0 7.032 -1.728 0.241
75 H17 H H17 N N N 0 7.981 -0.567 -0.718
76 H14 H H14 N N N 0 7.001 -1.571 -2.939
77 H18 H H18 N N N 0 5.86 0.196 1.338
78 H23 H H23 N N N 0 9.167 2.889 1.461
79 H24 H H24 N N N 0 8.361 3.181 3.019
80 H1 H H1 N N N 0 4.604 -1.485 0.241
81 H42 H H42 N N N 0 9.207 0.975 3.177