Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IP7

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 55


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 -0.36 -4.712 -4.824
2 C2 C C2 N Y N 0 -0.433 -3.77 -5.881
3 N3 N N3 N Y N 0 -0.77 -4.227 -7.108
4 C4 C C4 N Y N 0 -0.831 -3.307 -8.096
5 C5 C C5 N Y N 0 -0.573 -1.957 -7.916
6 C6 C C6 N Y N 0 -0.23 -1.525 -6.64
7 C7 C C7 N Y N 0 -0.151 -2.436 -5.579
8 N8 N N8 N N N 0 0.194 -2.007 -4.305
9 C9 C C9 N N N 0 0.489 -0.637 -3.973
10 C10 C C10 N Y N 0 0.885 -0.474 -2.543
11 C11 C C11 N Y N 0 -0.099 -0.221 -1.587
12 C12 C C12 N Y N 0 0.254 -0.065 -0.248
13 C13 C C13 N Y N 0 1.59 -0.163 0.138
14 C14 C C14 N Y N 0 2.575 -0.416 -0.817
15 C15 C C15 N Y N 0 2.222 -0.572 -2.158
16 O16 O O16 N N N 0 3.196 -0.818 -3.078
17 C17 C C17 N N N 0 4.346 -1.531 -2.629
18 C18 C C18 N Y N 0 4.926 -2.3 -3.779
19 C19 C C19 N Y N 0 4.489 -3.59 -4.012
20 C20 C C20 N Y N 0 5.047 -4.274 -5.086
21 C21 C C21 N Y N 0 6.007 -3.653 -5.877
22 C22 C C22 N Y N 0 6.372 -2.356 -5.554
23 N23 N N23 N Y N 0 5.853 -1.659 -4.519
24 C24 C C24 N Y N 0 -0.767 0.197 0.745
25 C25 C C25 N Y N 0 -0.449 0.943 1.878
26 C26 C C26 N Y N 0 -1.416 1.213 2.853
27 C27 C C27 N Y N 0 -2.725 0.72 2.678
28 C28 C C28 N Y N 0 -3.924 0.798 3.44
29 C29 C C29 N Y N 0 -4.901 0.113 2.755
30 N30 N N30 N Y N 0 -4.343 -0.379 1.605
31 C31 C C31 N Y N 0 -3.015 -0.024 1.532
32 C32 C C32 N Y N 0 -2.058 -0.301 0.549
33 HN11 H 1HN1 N N N 0 0.533 -4.943 -4.447
34 HN12 H 2HN1 N N N 0 -1.19 -5.191 -4.55
35 H4 H H4 N N N 0 -1.103 -3.695 -9.072
36 H5 H H5 N N N 0 -0.637 -1.26 -8.744
37 H6 H H6 N N N 0 -0.022 -0.472 -6.469
38 HN8 H HN8 N N N 0 0.24 -2.701 -3.566
39 H91 H 1H9 N N N 0 -0.402 -0.039 -4.207
40 H92 H 2H9 N N N 0 1.285 -0.299 -4.651
41 H11 H H11 N N N 0 -1.141 -0.145 -1.893
42 H13 H H13 N N N 0 1.882 -0.045 1.179
43 H14 H H14 N N N 0 3.614 -0.492 -0.511
44 H171 H 1H17 N N N 0 4.055 -2.203 -1.815
45 H172 H 2H17 N N N 0 5.077 -0.819 -2.231
46 H19 H H19 N N N 0 3.74 -4.063 -3.387
47 H20 H H20 N N N 0 4.734 -5.291 -5.306
48 H21 H H21 N N N 0 6.455 -4.167 -6.719
49 H22 H H22 N N N 0 7.116 -1.827 -6.14
50 H25 H H25 N N N 0 0.559 1.329 2.022
51 H26 H H26 N N N 0 -1.155 1.796 3.731
52 H28 H H28 N N N 0 -4.058 1.3 4.388
53 H29 H H29 N N N 0 -5.941 -0.069 2.983
54 HN30 H HN30 N N N 0 -4.834 -0.925 0.911
55 H32 H H32 N N N 0 -2.318 -0.884 -0.33