Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : 4IX

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 65


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C02 C C1 N N N 0 8.043 2.648 -0.376
2 C03 C C2 R N N 0 7.894 1.272 0.277
3 C05 C C3 R N N 0 6.47 -0.656 0.344
4 C07 C C4 N N N 0 4.09 -0.452 0.141
5 C08 C C5 N N N 0 2.865 -1.113 -0.494
6 C09 C C6 N N N 0 1.609 -0.32 -0.126
7 C10 C C7 N N N 0 0.385 -0.981 -0.762
8 C11 C C8 N Y N 0 -0.853 -0.201 -0.399
9 C12 C C9 N Y N 0 -1.76 0.323 -1.256
10 C14 C C10 N N N 0 -3.877 1.643 -0.981
11 C15 C C11 N N N 0 -5.131 1.056 -0.329
12 C16 C C12 N N N 0 -6.367 1.797 -0.842
13 C17 C C13 N Y N 0 -7.602 1.219 -0.2
14 C18 C C14 N Y N 0 -8.474 2.056 0.476
15 C19 C C15 N Y N 0 -9.609 1.525 1.066
16 C20 C C16 N Y N 0 -9.834 0.157 0.958
17 C22 C C17 N Y N 0 -8.909 -0.628 0.259
18 C23 C C18 N N N 0 -9.129 -2.082 0.132
19 C29 C C19 R N N 0 7.637 -1.59 0.017
20 C31 C C20 S N N 0 8.936 -0.979 0.554
21 C33 C C21 S N N 0 9.12 0.415 -0.052
22 N13 N N1 N Y N 0 -2.694 0.933 -0.489
23 N24 N N2 N N N 0 -8.277 -2.811 -0.512
24 N26 N N3 N Y N 0 -7.837 -0.072 -0.295
25 N27 N N4 N Y N 0 -2.363 0.783 0.746
26 N28 N N5 N Y N 0 -1.273 0.106 0.834
27 O01 O O1 N N N 0 6.958 3.486 0.026
28 O04 O O2 N N N 0 6.719 0.632 -0.223
29 O06 O O3 N N N 0 5.263 -1.192 -0.203
30 O21 O O4 N N N 0 -10.933 -0.408 1.521
31 O25 O O5 N N N 0 -7.133 -2.215 -1.095
32 O30 O O6 N N N 0 7.418 -2.862 0.631
33 O32 O O7 N N N 0 10.041 -1.809 0.19
34 O34 O O8 N N N 0 10.29 1.024 0.496
35 H021 H H1 N N N 0 8.986 3.098 -0.064
36 H022 H H2 N N N 0 8.035 2.538 -1.461
37 H031 H H3 N N N 0 7.813 1.39 1.357
38 H051 H H4 N N N 0 6.369 -0.563 1.426
39 H072 H H5 N N N 0 4.184 0.57 -0.227
40 H071 H H6 N N N 0 3.974 -0.438 1.225
41 H082 H H7 N N N 0 2.981 -1.127 -1.578
42 H081 H H8 N N N 0 2.772 -2.134 -0.126
43 H091 H H9 N N N 0 1.493 -0.307 0.958
44 H092 H H10 N N N 0 1.703 0.701 -0.494
45 H101 H H11 N N N 0 0.501 -0.995 -1.845
46 H102 H H12 N N N 0 0.291 -2.003 -0.393
47 H121 H H13 N N N 0 -1.742 0.265 -2.334
48 H141 H H14 N N N 0 -3.944 1.531 -2.063
49 H142 H H15 N N N 0 -3.798 2.7 -0.729
50 H152 H H16 N N N 0 -5.21 -0.002 -0.581
51 H151 H H17 N N N 0 -5.064 1.167 0.753
52 H161 H H18 N N N 0 -6.287 2.854 -0.59
53 H162 H H19 N N N 0 -6.434 1.685 -1.924
54 H181 H H20 N N N 0 -8.271 3.115 0.543
55 H191 H H21 N N N 0 -10.303 2.158 1.599
56 H231 H H22 N N N 0 -10.001 -2.537 0.578
57 H291 H H23 N N N 0 7.713 -1.715 -1.063
58 H311 H H24 N N N 0 8.88 -0.902 1.64
59 H331 H H25 N N N 0 9.225 0.331 -1.134
60 H011 H H26 N N N 0 6.988 4.376 -0.352
61 H211 H H27 N N N 0 -11.702 -0.439 0.936
62 H251 H H28 N N N 0 -6.555 -2.839 -1.556
63 H301 H H29 N N N 0 6.609 -3.305 0.34
64 H321 H H30 N N N 0 9.986 -2.71 0.535
65 H341 H H31 N N N 0 11.106 0.534 0.326