Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : M31

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C7 C C7 N N N 0 -5.764 0.234 0.81
2 S8 S S8 N N N 0 -4.667 0.947 -0.447
3 C6 C C6 N Y N 0 -7.177 0.207 0.287
4 C1 C C1 N Y N 0 -7.636 -0.897 -0.407
5 C2 C C2 N Y N 0 -8.932 -0.922 -0.886
6 C30 C C30 N Y N 0 -9.769 0.157 -0.671
7 C4 C C4 N Y N 0 -9.31 1.261 0.023
8 C5 C C5 N Y N 0 -8.014 1.286 0.502
9 O13 O O13 N N N 0 -4.553 0.073 -1.562
10 O14 O O14 N N N 0 -4.944 2.329 -0.624
11 N9 N N9 N N N 0 -3.165 0.917 0.25
12 C10 C C10 N N N 0 -2.529 -0.365 0.564
13 C11 C C11 N N N 0 -1.063 -0.145 0.835
14 O15 O O15 N N N 0 -0.595 0.972 0.772
15 N12 N N12 N N N 0 -0.271 -1.19 1.147
16 C16 C C16 S N N 0 1.169 -1.118 1.434
17 C17 C C17 N N N 0 1.901 -0.552 0.245
18 O18 O O18 N N N 0 1.286 -0.236 -0.752
19 C21 C C21 N N N 0 1.653 -2.557 1.712
20 C22 C C22 N N N 0 0.577 -3.427 1.012
21 C23 C C23 N N N 0 -0.707 -2.594 1.264
22 N19 N N19 N N N 0 3.239 -0.397 0.288
23 C20 C C20 N N N 0 3.951 0.154 -0.868
24 C24 C C24 N Y N 0 5.425 0.223 -0.564
25 C25 C C25 N Y N 0 6.206 -0.912 -0.668
26 C26 C C26 N N N 0 5.583 -2.22 -1.084
27 N32 N N32 N N N 0 5.422 -2.242 -2.544
28 C27 C C27 N Y N 0 7.559 -0.849 -0.389
29 C28 C C28 N Y N 0 8.131 0.349 -0.007
30 C29 C C29 N Y N 0 7.349 1.487 0.097
31 CL3 CL CL3 N N N 0 8.067 2.992 0.578
32 C31 C C31 N Y N 0 5.997 1.424 -0.187
33 H7 H H7 N N N 0 -5.722 0.841 1.715
34 H7A H H7A N N N 0 -5.442 -0.782 1.04
35 H1 H H1 N N N 0 -6.983 -1.742 -0.57
36 H2 H H2 N N N 0 -9.291 -1.784 -1.428
37 H30 H H30 N N N 0 -10.782 0.138 -1.046
38 H4 H H4 N N N 0 -9.964 2.104 0.191
39 H5 H H5 N N N 0 -7.655 2.148 1.044
40 HN9 H HN9 N N N 0 -2.707 1.748 0.45
41 H10 H H10 N N N 0 -3.0 -0.798 1.446
42 H10A H H10A N N N 0 -2.644 -1.045 -0.28
43 H16 H H16 N N N 0 1.342 -0.491 2.309
44 H21 H H21 N N N 0 2.635 -2.726 1.269
45 H21A H H21A N N N 0 1.674 -2.757 2.783
46 H22 H H22 N N N 0 0.783 -3.52 -0.055
47 H22A H H22A N N N 0 0.502 -4.408 1.48
48 H23 H H23 N N N 0 -1.097 -2.788 2.263
49 H23A H H23A N N N 0 -1.461 -2.821 0.51
50 HN19 H HN19 N N N 0 3.731 -0.649 1.085
51 H20 H H20 N N N 0 3.788 -0.488 -1.734
52 H20A H H20A N N N 0 3.576 1.155 -1.082
53 H26 H H26 N N N 0 6.228 -3.043 -0.777
54 H26A H H26A N N N 0 4.608 -2.325 -0.609
55 HN32 H HN32 N N N 0 6.304 -2.081 -3.008
56 HN3A H HN3A N N N 0 5.006 -3.109 -2.849
57 H27 H H27 N N N 0 8.169 -1.737 -0.471
58 H28 H H28 N N N 0 9.188 0.398 0.211
59 H31 H H31 N N N 0 5.388 2.312 -0.111