Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : IEQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O1 O O1 N N N 0 1.834 1.203 -1.454
2 C1 C C1 N N N 0 -2.047 3.433 -0.917
3 C10 C C2 N Y N 0 5.74 1.615 1.838
4 C11 C C3 N Y N 0 4.568 1.371 1.182
5 C12 C C4 N Y N 0 4.503 0.313 0.267
6 C13 C C5 N Y N 0 -1.227 -0.602 0.249
7 C14 C C6 N N N 0 -0.937 -2.023 0.659
8 C15 C C7 N N N 0 -1.462 -2.262 2.076
9 C16 C C8 N N N 0 -1.628 -2.985 -0.31
10 C17 C C9 N Y N 0 -2.534 -0.179 0.102
11 C18 C C10 N Y N 0 -2.801 1.129 -0.276
12 C19 C C11 N Y N 0 -5.079 0.681 -0.081
13 C2 C C12 N Y N 0 -1.756 2.013 -0.506
14 C20 C C13 N Y N 0 -5.37 0.447 1.256
15 C21 C C14 N Y N 0 -6.383 -0.428 1.598
16 C22 C C15 N Y N 0 -7.106 -1.071 0.61
17 C23 C C16 N Y N 0 -6.819 -0.839 -0.723
18 C24 C C17 N Y N 0 -5.807 0.035 -1.07
19 C3 C C18 N Y N 0 -0.45 1.59 -0.36
20 C4 C C19 N Y N 0 -0.182 0.283 0.023
21 C5 C C20 N N N 0 2.103 0.336 -0.642
22 C6 C C21 N Y N 0 3.468 -0.183 -0.551
23 C7 C C22 N Y N 0 4.001 -1.276 -1.266
24 C8 C C23 N Y N 0 6.766 -0.214 0.696
25 C9 C C24 N Y N 0 6.852 0.802 1.584
26 N1 N N1 N N N 0 1.143 -0.146 0.172
27 N2 N N2 N Y N 0 5.255 -1.433 -0.914
28 N3 N N3 N Y N 0 5.601 -0.465 0.036
29 O2 O O2 N N N 0 3.33 -2.038 -2.167
30 O3 O O3 N N N 0 -4.087 1.545 -0.42
31 H2 H H1 N N N 0 -2.098 3.494 -2.004
32 H3 H H2 N N N 0 -3.001 3.746 -0.491
33 H1 H H3 N N N 0 -1.255 4.086 -0.553
34 H9 H H4 N N N 0 5.809 2.43 2.544
35 H10 H H5 N N N 0 3.7 1.988 1.366
36 H11 H H6 N N N 0 0.139 -2.195 0.636
37 H13 H H7 N N N 0 -2.539 -2.09 2.098
38 H12 H H8 N N N 0 -1.253 -3.29 2.372
39 H14 H H9 N N N 0 -0.97 -1.577 2.766
40 H17 H H10 N N N 0 -1.254 -2.815 -1.32
41 H15 H H11 N N N 0 -1.418 -4.012 -0.014
42 H16 H H12 N N N 0 -2.704 -2.813 -0.288
43 H18 H H13 N N N 0 -3.347 -0.866 0.281
44 H19 H H14 N N N 0 -4.805 0.947 2.027
45 H20 H H15 N N N 0 -6.609 -0.611 2.638
46 H21 H H16 N N N 0 -7.897 -1.755 0.88
47 H7 H H20 N N N 0 7.63 -0.834 0.508
48 H22 H H17 N N N 0 -7.385 -1.342 -1.492
49 H23 H H18 N N N 0 -5.583 0.216 -2.111
50 H4 H H19 N N N 0 0.363 2.278 -0.54
51 H8 H H21 N N N 0 7.783 0.989 2.099
52 H5 H H22 N N N 0 1.37 -0.789 0.862
53 H6 H H23 N N N 0 3.385 -1.713 -3.076