Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CK9

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 53


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O27 O O27 N N N 0 3.762 -0.545 -2.057
2 C24 C C24 N Y N 0 4.424 -0.61 -0.872
3 C20 C C20 N Y N 0 4.485 -0.237 1.495
4 C23 C C23 N Y N 0 5.719 -1.107 -0.825
5 C22 C C22 N Y N 0 6.389 -1.173 0.381
6 C21 C C21 N Y N 0 5.773 -0.738 1.54
7 C19 C C19 N Y N 0 3.811 -0.17 0.292
8 C18 C C18 N N N 0 2.407 0.376 0.244
9 N17 N N17 N N N 0 1.452 -0.735 0.198
10 C4 C C4 N Y N 0 0.094 -0.478 0.149
11 C5 C C5 N Y N 0 -0.835 -1.532 0.105
12 N9 N N9 N Y N 0 -0.74 -2.884 0.095
13 C8 C C8 N Y N 0 -1.932 -3.402 0.046
14 C6 C C6 N Y N 0 -2.202 -1.213 0.056
15 N7 N N7 N Y N 0 -2.87 -2.411 0.02
16 C10 C C10 N N N 0 -4.322 -2.593 -0.035
17 C12 C C12 N N N 0 -4.692 -3.36 -1.307
18 C11 C C11 N N N 0 -4.784 -3.384 1.19
19 N3 N N3 N Y N 0 -2.57 0.065 0.059
20 C2 C C2 N Y N 0 -1.662 1.026 0.097
21 N1 N N1 N Y N 0 -0.361 0.771 0.143
22 N13 N N13 N N N 0 -2.085 2.346 0.093
23 C14 C C14 R N N 0 -1.101 3.43 0.139
24 C25 C C25 N N N 0 -1.748 4.681 0.736
25 C26 C C26 N N N 0 -2.125 4.414 2.195
26 C15 C C15 N N N 0 -0.612 3.736 -1.278
27 O16 O O16 N N N 0 -1.697 4.243 -2.057
28 H27 H H27 N N N 0 3.294 -1.385 -2.162
29 H23 H H23 N N N 0 6.2 -1.447 -1.73
30 H22 H H22 N N N 0 7.395 -1.563 0.418
31 H21 H H21 N N N 0 6.299 -0.789 2.482
32 H20 H H20 N N N 0 4.006 0.102 2.402
33 H181 H 1H18 N N N 0 2.287 0.994 -0.646
34 H182 H 2H18 N N N 0 2.22 0.978 1.133
35 H17 H H17 N N N 0 1.773 -1.65 0.201
36 H8 H H8 N N N 0 -2.148 -4.46 0.027
37 H10 H H10 N N N 0 -4.81 -1.619 -0.044
38 H121 H 1H12 N N N 0 -5.773 -3.496 -1.348
39 H122 H 2H12 N N N 0 -4.363 -2.797 -2.18
40 H123 H 3H12 N N N 0 -4.204 -4.335 -1.298
41 H111 H 1H11 N N N 0 -4.521 -2.837 2.096
42 H112 H 2H11 N N N 0 -5.865 -3.519 1.149
43 H113 H 3H11 N N N 0 -4.296 -4.358 1.199
44 H13 H H13 N N N 0 -3.032 2.551 0.059
45 H14 H H14 N N N 0 -0.256 3.128 0.758
46 H251 H 1H25 N N N 0 -2.645 4.932 0.169
47 H252 H 2H25 N N N 0 -1.045 5.512 0.689
48 H261 H 1H26 N N N 0 -2.586 5.305 2.62
49 H262 H 2H26 N N N 0 -2.829 3.582 2.242
50 H263 H 3H26 N N N 0 -1.228 4.163 2.761
51 H151 H 1H15 N N N 0 0.184 4.48 -1.235
52 H152 H 2H15 N N N 0 -0.231 2.823 -1.736
53 H16 H H16 N N N 0 -1.346 4.422 -2.941