Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : YKI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 52


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 7.223 1.664 -1.355
2 N1 N N1 N Y N 0 7.91 0.678 -0.803
3 C2 C C2 N Y N 0 7.324 -0.363 -0.243
4 N2 N N2 N Y N 0 5.036 -1.37 0.277
5 C3 C C3 N Y N 0 5.857 1.661 -1.371
6 N3 N N3 N Y N 0 3.881 0.261 -0.627
7 C4 C C4 N Y N 0 3.785 -0.885 0.006
8 N4 N N4 N N N 0 -1.969 -0.557 0.238
9 C5 C C5 N Y N 0 5.177 0.584 -0.787
10 N5 N N5 N Y N 0 -6.374 -0.584 -2.225
11 C6 C C6 N Y N 0 5.942 -0.455 -0.217
12 N6 N N6 N Y N 0 -7.775 0.566 -0.536
13 C7 C C7 N Y N 0 2.518 -1.557 0.36
14 C8 C C8 N Y N 0 0.139 -2.825 1.024
15 C9 C C9 N Y N 0 1.274 -3.573 0.762
16 C10 C C10 N Y N 0 2.459 -2.948 0.432
17 C11 C C11 N N N 0 -3.2 -0.099 0.541
18 C12 C C12 N Y N 0 -4.308 -0.266 -0.422
19 O13 O O13 N N N 0 -3.399 0.452 1.606
20 C14 C C14 N Y N 0 -4.107 -0.896 -1.653
21 C15 C C15 N Y N 0 -5.173 -1.032 -2.524
22 C16 C C16 R N N 0 -0.871 -0.391 1.193
23 C17 C C17 N Y N 0 0.182 -1.447 0.963
24 C18 C C18 N Y N 0 1.365 -0.795 0.632
25 C19 C C19 N Y N 0 -0.185 0.935 0.971
26 C20 C C20 N Y N 0 1.141 0.67 0.637
27 C21 C C21 N Y N 0 2.007 1.734 0.374
28 C22 C C22 N Y N 0 1.545 3.032 0.447
29 C23 C C23 N Y N 0 0.226 3.285 0.78
30 C24 C C24 N Y N 0 -0.637 2.235 1.042
31 C25 C C25 N Y N 0 -5.604 0.202 -0.13
32 C26 C C26 N Y N 0 -6.633 0.021 -1.077
33 C27 C C27 N Y N 0 -7.506 1.078 0.703
34 C28 C C28 N Y N 0 -6.209 0.889 1.006
35 H1 H H1 N N N 0 7.753 2.493 -1.798
36 H2 H H2 N N N 0 7.924 -1.146 0.196
37 H3 H H3 N N N 0 5.311 2.474 -1.825
38 HN4 H HN4 N N N 0 -1.811 -0.996 -0.612
39 H8 H H8 N N N 0 -0.785 -3.322 1.282
40 H9 H H9 N N N 0 1.232 -4.651 0.813
41 H10 H H10 N N N 0 3.341 -3.536 0.229
42 H14 H H14 N N N 0 -3.131 -1.271 -1.921
43 H15 H H15 N N N 0 -5.016 -1.519 -3.475
44 H16 H H16 N N N 0 -1.248 -0.452 2.213
45 H21 H H21 N N N 0 3.037 1.541 0.113
46 H22 H H22 N N N 0 2.215 3.853 0.243
47 H23 H H23 N N N 0 -0.13 4.303 0.836
48 H24 H H24 N N N 0 -1.666 2.435 1.301
49 H27 H H27 N N N 0 -8.229 1.563 1.343
50 H28 H H28 N N N 0 -5.711 1.188 1.916
51 HN2 H HN2 N N N 0 5.246 -2.201 0.731
52 HN6 H HN6 N N N 0 -8.642 0.585 -0.97