Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IP1

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 N N 0 0.658 0.642 -7.094
2 C2 C C2 S N N 0 -0.289 0.205 -6.007
3 C3 C C3 N N N 0 0.409 0.309 -4.649
4 C4 C C4 N N N 0 -0.552 -0.134 -3.545
5 C7 C C7 N N N 0 0.146 -0.03 -2.188
6 C10 C C10 N N N 0 -0.801 -0.467 -1.101
7 N11 N N11 N N N 0 -0.4 -0.459 0.185
8 C12 C C12 R N N 0 -1.321 -0.884 1.242
9 C13 C C13 N N N 0 -1.732 0.231 2.181
10 N14 N N14 N N N 0 -0.697 -1.186 -6.242
11 O15 O O15 N N N 0 -1.924 -0.826 -1.383
12 C16 C C16 R N N 0 -0.624 -1.51 2.452
13 S17 S S17 N N N 0 1.211 -1.484 2.357
14 O18 O O18 N N N 0 -2.469 1.188 2.08
15 O19 O O19 N N N 0 0.702 1.93 -7.468
16 O20 O O20 N N N 0 1.377 -0.167 -7.63
17 N29 N N29 N N N 0 -0.944 -0.279 3.215
18 C30 C C30 S N N 0 0.205 0.54 3.615
19 C31 C C31 N N N 0 -0.109 1.224 4.92
20 C32 C C32 N N N 0 1.496 -0.312 3.758
21 C33 C C33 N N N 0 1.542 -1.041 5.102
22 C37 C C37 N N N 0 2.754 0.531 3.538
23 O42 O O42 N N N 0 0.458 2.404 5.214
24 O43 O O43 N N N 0 -0.873 0.709 5.703
25 H2 H H2 N N N 0 -1.169 0.848 -6.012
26 H32 H 2H3 N N N 0 0.712 1.341 -4.474
27 H31 H 1H3 N N N 0 1.289 -0.333 -4.644
28 H42A H 2H4 N N N 0 -0.855 -1.166 -3.72
29 H41 H 1H4 N N N 0 -1.433 0.508 -3.551
30 H72 H 2H7 N N N 0 0.448 1.001 -2.013
31 H71 H 1H7 N N N 0 1.026 -0.673 -2.183
32 H11 H H11 N N N 0 0.498 -0.172 0.411
33 H12 H H12 N N N 0 -2.158 -1.471 0.866
34 H142 H 2H14 N N N 0 0.145 -1.741 -6.229
35 H141 H 1H14 N N N 0 -1.243 -1.467 -5.442
36 H16 H H16 N N N 0 -1.054 -2.44 2.822
37 H19 H H19 N N N 0 1.31 2.21 -8.165
38 H30 H H30 N N N 0 0.384 1.297 2.852
39 H333 H 3H33 N N N 0 2.417 -1.691 5.133
40 H332 H 2H33 N N N 0 1.603 -0.311 5.91
41 H331 H 1H33 N N N 0 0.64 -1.641 5.221
42 H373 H 3H37 N N N 0 3.632 -0.113 3.564
43 H372 H 2H37 N N N 0 2.694 1.026 2.569
44 H371 H 1H37 N N N 0 2.83 1.281 4.325
45 H42 H H42 N N N 0 0.255 2.843 6.052