Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IKH

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 43


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N Y N 0 3.446 -2.556 0.085
2 C02 C C2 N Y N 0 2.153 -2.141 0.073
3 C05 C C3 N Y N 0 4.479 -1.601 -0.006
4 C07 C C4 N Y N 0 5.332 0.42 -0.176
5 N09 N N1 N Y N 0 5.8 -1.707 -0.019
6 C10 C C5 N N N 0 5.485 1.914 -0.296
7 C13 C C6 N N N 0 0.486 -0.334 -0.04
8 C15 C C7 N Y N 0 -2.0 0.447 -0.061
9 C17 C C8 N Y N 0 -3.795 1.717 -0.137
10 C18 C C9 N Y N 0 -4.167 0.41 -0.033
11 C20 C C10 N N N 0 -1.584 2.934 -0.255
12 C21 C C11 N Y N 0 -5.561 -0.096 0.021
13 C22 C C12 N Y N 0 -5.804 -1.464 0.128
14 C23 C C13 N Y N 0 -7.102 -1.929 0.179
15 C24 C C14 N Y N 0 -8.161 -1.041 0.123
16 C25 C C15 N Y N 0 -7.925 0.318 0.016
17 N06 N N3 N Y N 0 4.158 -0.27 -0.104
18 C26 C C16 N Y N 0 -6.631 0.795 -0.029
19 C03 C C17 N Y N 0 1.853 -0.763 -0.029
20 N04 N N2 N Y N 0 2.818 0.131 -0.113
21 C08 C C18 N Y N 0 6.334 -0.489 -0.122
22 O11 O O1 N N N 0 5.555 2.491 1.01
23 C12 C C19 N N N 0 7.807 -0.177 -0.17
24 C14 C C20 N N N 0 -0.634 0.018 -0.049
25 N16 N N4 N Y N 0 -2.43 1.742 -0.155
26 N19 N N5 N Y N 0 -3.054 -0.34 0.011
27 H27 H H1 N N N 0 3.681 -3.607 0.167
28 H28 H H2 N N N 0 1.354 -2.864 0.142
29 H29 H H3 N N N 0 6.399 2.143 -0.844
30 H30 H H4 N N N 0 4.629 2.326 -0.83
31 H35 H H5 N N N 0 -4.454 2.57 -0.195
32 H36 H H6 N N N 0 -1.386 3.152 -1.305
33 H37 H H7 N N N 0 -2.094 3.782 0.202
34 H38 H H8 N N N 0 -0.641 2.755 0.262
35 H39 H H9 N N N 0 -4.978 -2.159 0.171
36 H40 H H10 N N N 0 -7.292 -2.989 0.261
37 H41 H H11 N N N 0 -9.175 -1.41 0.162
38 H42 H H12 N N N 0 -8.756 1.007 -0.027
39 H43 H H13 N N N 0 -6.448 1.856 -0.108
40 H31 H H14 N N N 0 5.655 3.453 1.009
41 H34 H H15 N N N 0 8.179 -0.021 0.842
42 H32 H H16 N N N 0 8.34 -1.009 -0.629
43 H33 H H17 N N N 0 7.968 0.727 -0.759