Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Atoms of Molecule

 Molecule : S4Q

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 45


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 1.37 -2.186 -0.28
2 C2 C C2 N Y N 0 0.012 -2.126 0.075
3 C3 C C3 N Y N 0 -0.476 -0.936 0.64
4 C7 C C4 N N N 0 5.555 1.814 -1.159
5 C8 C C5 N N N 0 5.993 1.988 0.306
6 C9 C C6 N N N 0 4.736 1.761 1.172
7 C10 C C7 N Y N 0 -2.099 -2.422 0.48
8 C11 C C8 N N N 0 -2.748 -0.194 1.475
9 C12 C C9 N Y N 0 -3.295 0.703 0.394
10 C13 C C10 N Y N 0 -4.446 0.345 -0.286
11 C14 C C11 N Y N 0 -4.948 1.17 -1.278
12 C15 C C12 N Y N 0 -4.299 2.35 -1.59
13 C16 C C13 N Y N 0 -3.149 2.708 -0.912
14 F1 F F1 N N N 0 -5.08 -0.808 0.019
15 C17 C C14 N Y N 0 -2.649 1.888 0.085
16 F F F2 N N N 0 -1.529 2.241 0.752
17 N3 N N1 N Y N 0 -1.809 -1.152 0.885
18 N4 N N2 N Y N 0 -1.03 -2.991 0.005
19 N1 N N3 N Y N 0 0.357 0.084 0.82
20 C4 C C15 N Y N 0 1.628 -0.015 0.472
21 N2 N N4 N Y N 0 2.131 -1.118 -0.065
22 N N N5 N N N 0 1.906 -3.334 -0.836
23 C C C16 N N N 0 3.324 -3.38 -1.199
24 O O O1 N N N 0 2.445 1.047 0.67
25 C5 C C17 N N N 0 3.811 0.896 0.28
26 C6 C C18 N N N 0 4.047 1.488 -1.132
27 H1 H H1 N N N 0 5.727 2.737 -1.712
28 H2 H H2 N N N 0 6.107 0.994 -1.619
29 H3 H H3 N N N 0 6.757 1.252 0.557
30 H4 H H4 N N N 0 6.378 2.995 0.464
31 H5 H H5 N N N 0 4.994 1.226 2.086
32 H6 H H6 N N N 0 4.26 2.712 1.409
33 H7 H H7 N N N 0 -3.072 -2.886 0.544
34 H8 H H8 N N N 0 -2.231 0.409 2.221
35 H9 H H9 N N N 0 -3.568 -0.734 1.948
36 H10 H H10 N N N 0 -5.846 0.892 -1.809
37 H11 H H11 N N N 0 -4.69 2.993 -2.365
38 H12 H H12 N N N 0 -2.643 3.63 -1.156
39 H13 H H13 N N N 0 1.342 -4.11 -0.984
40 H14 H H14 N N N 0 3.933 -3.208 -0.312
41 H15 H H15 N N N 0 3.561 -4.358 -1.619
42 H19 H H19 N N N 0 3.802 0.753 -1.899
43 H16 H H16 N N N 0 3.534 -2.607 -1.939
44 H17 H H17 N N N 0 4.109 -0.152 0.317
45 H18 H H18 N N N 0 3.458 2.395 -1.269