Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : 4SI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C14 C C1 N Y N 0 -0.032 -2.482 0.414
2 C11 C C2 N N N 0 -2.691 -0.282 0.562
3 C10 C C3 N Y N 0 -3.434 0.892 0.216
4 C12 C C4 N N N 0 -2.081 -1.244 0.845
5 C13 C C5 S N N 0 -1.317 -2.451 1.201
6 C01 C C6 N N N 0 -1.84 0.742 -2.68
7 C02 C C7 N N N 0 -1.621 1.556 -1.403
8 C03 C C8 N Y N 0 -2.946 1.797 -0.728
9 C05 C C9 N Y N 0 -4.83 3.094 -0.434
10 C08 C C10 N Y N 0 -4.681 1.161 0.814
11 C15 C C11 N Y N 0 0.882 -1.457 0.546
12 C16 C C12 N Y N 0 2.07 -1.487 -0.183
13 C17 C C13 N Y N 0 3.055 -0.388 -0.044
14 C18 C C14 N Y N 0 4.243 -0.421 -0.775
15 C19 C C15 N Y N 0 5.159 0.599 -0.646
16 C20 C C16 N Y N 0 4.899 1.667 0.216
17 C21 C C17 N N N 0 5.881 2.761 0.354
18 C24 C C18 N Y N 0 3.709 1.699 0.947
19 C25 C C19 N Y N 0 2.792 0.681 0.813
20 C26 C C20 N Y N 0 2.328 -2.554 -1.042
21 C27 C C21 N Y N 0 1.408 -3.574 -1.167
22 C28 C C22 N Y N 0 0.232 -3.542 -0.437
23 C30 C C23 N N N 0 -0.998 -2.43 2.697
24 N04 N N1 N Y N 0 -3.662 2.87 -1.021
25 N06 N N2 N N N 0 -5.543 4.23 -0.774
26 N07 N N3 N Y N 0 -5.336 2.261 0.463
27 N09 N N4 N N N 0 -5.214 0.294 1.751
28 N22 N N5 N N N 0 5.629 3.792 1.185
29 O23 O O1 N N N 0 6.916 2.734 -0.283
30 CL29 CL CL1 N N N 0 -0.922 -4.829 -0.599
31 H1 H H1 N N N 0 -1.907 -3.337 0.968
32 H2 H H2 N N N 0 -2.497 1.293 -3.354
33 H3 H H3 N N N 0 -0.882 0.568 -3.169
34 H4 H H4 N N N 0 -2.299 -0.214 -2.428
35 H5 H H5 N N N 0 -0.965 1.005 -0.73
36 H6 H H6 N N N 0 -1.162 2.512 -1.656
37 H7 H H7 N N N 0 0.677 -0.632 1.213
38 H8 H H8 N N N 0 4.445 -1.247 -1.441
39 H9 H H9 N N N 0 6.079 0.573 -1.212
40 H10 H H10 N N N 0 3.506 2.524 1.614
41 H11 H H11 N N N 0 1.872 0.706 1.378
42 H12 H H12 N N N 0 3.245 -2.58 -1.612
43 H13 H H13 N N N 0 1.607 -4.401 -1.833
44 H14 H H14 N N N 0 -0.432 -3.324 2.961
45 H15 H H15 N N N 0 -0.407 -1.544 2.93
46 H16 H H16 N N N 0 -1.927 -2.408 3.266
47 H17 H H17 N N N 0 -6.401 4.406 -0.356
48 H18 H H18 N N N 0 -5.186 4.849 -1.429
49 H19 H H19 N N N 0 -4.728 -0.507 2.001
50 H20 H H20 N N N 0 -6.073 0.488 2.157
51 H21 H H21 N N N 0 4.803 3.814 1.693
52 H22 H H22 N N N 0 6.274 4.511 1.276