Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IP5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 49


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O16 O O16 N N N 0 -0.212 -0.751 -2.46
2 C6 C C6 N N N 0 1.037 -0.699 -1.774
3 C1 C C1 S N N 0 0.759 -0.745 -0.266
4 O11 O O11 N N N 0 1.95 -0.389 0.433
5 P1 P P1 N N N 0 1.909 -0.366 2.046
6 O41 O O41 N N N 0 0.912 0.86 2.39
7 O31 O O31 N N N 0 3.367 0.221 2.428
8 O21 O O21 N N N 0 1.564 -1.675 2.694
9 C5 C C5 R N N 0 1.945 -1.848 -2.255
10 O15 O O15 N N N 0 3.29 -1.598 -1.854
11 P5 P P5 N N N 0 4.004 -0.256 -2.39
12 O45 O O45 N N N 0 4.145 -0.5 -3.982
13 O35 O O35 N N N 0 5.519 -0.427 -1.851
14 O25 O O25 N N N 0 3.332 1.027 -1.995
15 C4 C C4 S N N 0 1.501 -3.234 -1.752
16 O14 O O14 N N N 0 0.322 -3.619 -2.455
17 P4 P P4 N N N 0 -0.34 -5.046 -2.101
18 O44 O O44 N N N 0 0.752 -6.119 -2.62
19 O34 O O34 N N N 0 -1.525 -5.162 -3.195
20 O24 O O24 N N N 0 -0.776 -5.212 -0.674
21 C3 C C3 N N N 0 1.224 -3.262 -0.241
22 O13 O O13 N N N 0 2.45 -3.141 0.478
23 P3 P P3 N N N 0 3.607 -4.233 0.202
24 O43 O O43 N N N 0 2.986 -5.609 0.782
25 O33 O O33 N N N 0 4.098 -4.298 -1.215
26 O23 O O23 N N N 0 4.731 -3.841 1.297
27 C2 C C2 S N N 0 0.267 -2.134 0.166
28 O12 O O12 N N N 0 0.069 -2.14 1.578
29 P2 P P2 N N N 0 -0.451 -3.503 2.266
30 O22 O O22 N N N 0 -1.953 -3.677 1.693
31 O32 O O32 N N N 0 0.446 -4.692 2.086
32 O42 O O42 N N N 0 -0.688 -3.052 3.801
33 HO16 H HO16 N N N 0 -0.069 -1.306 -3.24
34 H6 H H6 N N N 0 1.513 0.258 -2.022
35 H1 H H1 N N N 0 0.001 -0.001 0.005
36 HO41 H HO41 N N N 0 0.678 1.032 3.327
37 HO31 H HO31 N N N 0 3.635 0.251 3.371
38 H5 H H5 N N N 0 1.933 -1.858 -3.352
39 HO45 H HO45 N N N 0 4.503 0.221 -4.543
40 HO35 H HO35 N N N 0 6.151 0.314 -1.968
41 H4 H H4 N N N 0 2.284 -3.965 -1.984
42 HO44 H HO44 N N N 0 0.595 -7.073 -2.454
43 HO34 H HO34 N N N 0 -2.152 -5.914 -3.138
44 H3 H H3 N N N 0 0.782 -4.223 0.048
45 HO43 H HO43 N N N 0 3.491 -6.442 0.668
46 HO23 H HO23 N N N 0 5.594 -4.307 1.278
47 H2 H H2 N N N 0 -0.713 -2.32 -0.288
48 HO22 H HO22 N N N 0 -2.46 -4.484 1.927
49 HO42 H HO42 N N N 0 -0.924 -3.735 4.465