Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : LIJ

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 C4 C C4 N N N 0 -0.058 5.813 1.225
2 C5 C C5 N N N 0 -1.371 5.03 1.17
3 C6 C C6 N N N 0 -1.585 4.49 -0.245
4 C7 C C7 N N N 0 -2.96 3.825 -0.335
5 C10 C C10 S N N 0 -1.501 0.045 0.609
6 N12 N N12 N N N 0 0.897 -0.15 0.034
7 C13 C C13 S N N 0 2.031 -0.871 -0.549
8 C15 C C15 N Y N 0 0.874 -1.16 -2.723
9 C17 C C17 N Y N 0 -0.232 -2.979 -3.817
10 C20 C C20 N Y N 0 -0.262 -0.385 -2.862
11 C21 C C21 R N N 0 3.329 -0.404 0.114
12 C22 C C22 N N N 0 4.498 -1.243 -0.404
13 C24 C C24 N N N 0 6.8 -1.714 -0.224
14 C26 C C26 N Y N 0 8.923 -0.405 -0.026
15 C28 C C28 N Y N 0 10.466 -0.792 1.773
16 C1 C C1 N N N 0 -5.02 2.713 -3.389
17 C2 C C2 N N N 0 -4.695 2.968 -1.916
18 C3 C C3 N N N 0 -3.243 3.434 -1.787
19 S8 S S8 N N N 0 -2.984 2.341 0.707
20 O8B O O8B N N N 0 -4.225 1.672 0.53
21 O8A O O8A N N N 0 -2.554 2.688 2.016
22 C9 C C9 N N N 0 -1.677 1.384 -0.109
23 C11 C C11 N N N 0 -0.334 -0.697 0.009
24 O11 O O11 N N N 0 -0.503 -1.787 -0.496
25 C14 C C14 N N N 0 2.097 -0.59 -2.052
26 C16 C C16 N Y N 0 0.891 -2.455 -3.205
27 C18 C C18 N Y N 0 -1.369 -2.205 -3.955
28 C19 C C19 N Y N 0 -1.384 -0.908 -3.478
29 O21 O O21 N N N 0 3.555 0.972 -0.198
30 N23 N N23 N N N 0 5.723 -0.877 0.319
31 C25 C C25 N Y N 0 8.093 -1.387 0.478
32 C27 C C27 N Y N 0 10.111 -0.101 0.624
33 O27 O O27 N N N 0 10.927 0.868 0.132
34 C29 C C29 N Y N 0 9.635 -1.777 2.27
35 C30 C C30 N Y N 0 8.45 -2.075 1.624
36 C31 C C31 N N N 0 12.055 0.94 1.006
37 N40 N N40 N N N 0 -2.718 -0.755 0.456
38 C41 C C41 N N N 0 -3.749 -0.581 1.307
39 O42 O O42 N N N 0 -3.669 0.238 2.2
40 O43 O O43 N N N 0 -4.869 -1.316 1.166
41 C44 C C44 N N N 0 -5.98 -1.13 2.083
42 C45 C C45 N Y N 0 -7.1 -2.066 1.711
43 C46 C C46 N Y N 0 -8.075 -1.658 0.82
44 C47 C C47 N Y N 0 -9.101 -2.519 0.476
45 C48 C C48 N Y N 0 -9.156 -3.784 1.03
46 C49 C C49 N Y N 0 -8.185 -4.19 1.925
47 C50 C C50 N Y N 0 -7.157 -3.331 2.266
48 H41 H 1H4 N N N 0 0.094 6.198 2.233
49 H42 H 2H4 N N N 0 0.769 5.155 0.958
50 H43 H 3H4 N N N 0 -0.102 6.645 0.521
51 H51 H 1H5 N N N 0 -1.328 4.198 1.874
52 H52 H 2H5 N N N 0 -2.198 5.688 1.437
53 H61 H 1H6 N N N 0 -1.531 5.311 -0.959
54 H62 H 2H6 N N N 0 -0.812 3.757 -0.475
55 H7 H H7 N N N 0 -3.724 4.523 0.009
56 H10 H H10 N N N 0 -1.313 0.222 1.668
57 HN12 H HN12 N N N 0 1.033 0.722 0.438
58 H13 H H13 N N N 0 1.905 -1.941 -0.385
59 H17 H H17 N N N 0 -0.221 -3.993 -4.19
60 H20 H H20 N N N 0 -0.274 0.628 -2.489
61 H21 H H21 N N N 0 3.247 -0.522 1.195
62 H221 H 1H22 N N N 0 4.285 -2.3 -0.246
63 H222 H 2H22 N N N 0 4.635 -1.056 -1.47
64 H241 H 1H24 N N N 0 6.558 -2.765 -0.068
65 H242 H 2H24 N N N 0 6.908 -1.521 -1.292
66 H26 H H26 N N N 0 8.644 0.131 -0.922
67 H28 H H28 N N N 0 11.392 -0.559 2.279
68 H11 H 1H1 N N N 0 -4.355 1.943 -3.78
69 H12 H 2H1 N N N 0 -6.054 2.381 -3.481
70 H13A H 3H1 N N N 0 -4.883 3.634 -3.956
71 H21A H 1H2 N N N 0 -4.832 2.047 -1.349
72 H22 H 2H2 N N N 0 -5.36 3.738 -1.525
73 H31 H 1H3 N N N 0 -3.08 4.296 -2.434
74 H32 H 2H3 N N N 0 -2.574 2.626 -2.082
75 H91 H 1H9 N N N 0 -1.952 1.206 -1.149
76 H92 H 2H9 N N N 0 -0.741 1.942 -0.072
77 H141 H 1H14 N N N 0 2.134 0.487 -2.218
78 H142 H 2H14 N N N 0 2.99 -1.053 -2.47
79 H16 H H16 N N N 0 1.779 -3.06 -3.097
80 H18 H H18 N N N 0 -2.246 -2.614 -4.436
81 H19 H H19 N N N 0 -2.272 -0.303 -3.586
82 HO21 H HO21 N N N 0 3.62 1.033 -1.161
83 HN23 H HN23 N N N 0 5.938 0.075 0.061
84 H29 H H29 N N N 0 9.911 -2.315 3.165
85 H30 H H30 N N N 0 7.801 -2.845 2.014
86 H311 H 1H31 N N N 0 12.741 1.709 0.65
87 H312 H 2H31 N N N 0 11.72 1.191 2.013
88 H313 H 3H31 N N N 0 12.565 -0.023 1.022
89 HN40 H HN40 N N N 0 -2.783 -1.409 -0.257
90 H441 H 1H44 N N N 0 -5.651 -1.342 3.1
91 H442 H 2H44 N N N 0 -6.331 -0.1 2.022
92 H46 H H46 N N N 0 -8.031 -0.67 0.387
93 H47 H H47 N N N 0 -9.86 -2.202 -0.224
94 H48 H H48 N N N 0 -9.959 -4.455 0.763
95 H49 H H49 N N N 0 -8.228 -5.179 2.358
96 H50 H H50 N N N 0 -6.397 -3.648 2.965