Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : LIX

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 82


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N Y N 0 3.396 2.482 2.474
2 N3 N N3 N N N 0 3.06 0.369 3.48
3 C4 C C4 N Y N 0 1.435 1.204 1.912
4 C5 C C5 N N N 0 -0.191 2.164 0.268
5 C6 C C6 N N N 0 0.028 1.523 -1.098
6 C7 C C7 N Y N 0 -0.37 -0.026 3.036
7 C8 C C8 N Y N 0 -1.142 -1.175 3.184
8 C10 C C10 N Y N 0 0.07 -2.253 1.371
9 C13 C C13 N N N 0 -0.247 -5.173 3.145
10 C15 C C15 N N N 0 -0.504 -4.544 0.739
11 C17 C C17 N N N 0 2.576 -3.487 -0.272
12 C20 C C20 N N N 0 4.417 0.252 3.903
13 C21 C C21 N N N 0 4.718 -1.118 4.488
14 C22 C C22 N N N 0 -2.432 -5.532 1.992
15 C24 C C24 N Y N 0 6.132 -3.976 8.717
16 C26 C C26 N Y N 0 4.259 -5.177 7.734
17 C28 C C28 N Y N 0 4.673 -5.281 10.129
18 O5 O O5 N N N 0 6.822 -3.309 3.627
19 S1 S S1 N N N 0 5.409 -3.635 3.606
20 O4 O O4 N N N 0 4.894 -4.587 2.64
21 C30 C C30 N Y N 0 4.963 -4.234 5.208
22 C29 C C29 N Y N 0 5.724 -3.864 6.304
23 C25 C C25 N Y N 0 5.383 -4.33 7.583
24 C31 C C31 N Y N 0 3.863 -5.059 5.337
25 C32 C C32 N Y N 0 3.509 -5.532 6.6
26 C27 C C27 N Y N 0 3.917 -5.644 9.014
27 C23 C C23 N Y N 0 5.778 -4.449 9.981
28 N6 N N6 N N N 0 4.508 -2.17 3.531
29 C1 C C1 N Y N 0 2.62 1.386 2.595
30 C3 C C3 N Y N 0 1.069 2.235 1.069
31 N2 N N2 N Y N 0 1.796 3.359 0.899
32 C2 C C2 N Y N 0 2.931 3.416 1.621
33 N4 N N4 N N N 0 3.719 4.578 1.469
34 C12 C C12 N Y N 0 0.621 0.017 2.061
35 C11 C C11 N Y N 0 0.837 -1.086 1.23
36 N5 N N5 N N N 0 0.227 -3.378 0.515
37 C16 C C16 N N N 0 1.112 -3.287 -0.641
38 C18 C C18 N N N 0 3.508 -3.374 -1.472
39 O1 O O1 N N N 0 4.844 -3.591 -1.036
40 C19 C C19 N N N 0 5.769 -3.474 -2.108
41 O3 O O3 N N N 0 -0.525 -5.507 -0.03
42 C14 C C14 N N N 0 -1.217 -4.599 2.099
43 O2 O O2 N N N 0 -1.729 -3.359 2.568
44 C9 C C9 N Y N 0 -0.913 -2.284 2.364
45 HN3 H HN3 N N N 0 2.367 -0.275 3.801
46 H51 H 1H5 N N N 0 -0.959 1.597 0.816
47 H52 H 2H5 N N N 0 -0.612 3.172 0.132
48 H61 H 1H6 N N N 0 0.754 2.092 -1.689
49 H62 H 2H6 N N N 0 -0.91 1.484 -1.66
50 H63 H 3H6 N N N 0 0.406 0.5 -0.997
51 H7 H H7 N N N 0 -0.541 0.835 3.674
52 H8 H H8 N N N 0 -1.919 -1.204 3.944
53 H131 H 1H13 N N N 0 0.79 -5.036 2.823
54 H132 H 2H13 N N N 0 -0.378 -4.67 4.108
55 H133 H 3H13 N N N 0 -0.425 -6.243 3.288
56 H171 H 1H17 N N N 0 2.866 -2.739 0.476
57 H172 H 2H17 N N N 0 2.72 -4.463 0.209
58 H201 H 1H20 N N N 0 5.05 0.464 3.036
59 H202 H 2H20 N N N 0 4.587 1.027 4.656
60 H211 H 1H21 N N N 0 5.765 -1.174 4.802
61 H212 H 2H21 N N N 0 4.084 -1.33 5.355
62 H221 H 1H22 N N N 0 -2.11 -6.571 1.877
63 H222 H 2H22 N N N 0 -3.051 -5.461 2.892
64 H223 H 3H22 N N N 0 -3.047 -5.264 1.128
65 H24 H H24 N N N 0 7.0 -3.326 8.625
66 H28 H H28 N N N 0 4.398 -5.649 11.113
67 H29 H H29 N N N 0 6.587 -3.212 6.175
68 H31 H H31 N N N 0 3.267 -5.346 4.475
69 H32 H H32 N N N 0 2.641 -6.181 6.693
70 H27 H H27 N N N 0 3.058 -6.297 9.153
71 H23 H H23 N N N 0 6.366 -4.166 10.849
72 HN6 H HN6 N N N 0 3.577 -2.221 3.067
73 HN41 H 1HN4 N N N 0 3.329 5.372 1.004
74 HN42 H 2HN4 N N N 0 4.679 4.554 1.744
75 H11 H H11 N N N 0 1.613 -1.009 0.473
76 H161 H 1H16 N N N 0 0.966 -2.294 -1.077
77 H162 H 2H16 N N N 0 0.785 -4.033 -1.373
78 H181 H 1H18 N N N 0 3.269 -4.123 -2.233
79 H182 H 2H18 N N N 0 3.447 -2.377 -1.921
80 H191 H 1H19 N N N 0 6.147 -4.464 -2.374
81 H192 H 2H19 N N N 0 6.595 -2.824 -1.809
82 H193 H 3H19 N N N 0 5.259 -3.037 -2.971