Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1AK

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 C01 C C01 N Y N 0 -1.961 3.309 -0.635
2 C02 C C02 N Y N 0 -2.085 3.84 0.635
3 C03 C C03 N Y N 0 -1.962 3.024 1.745
4 C04 C C04 N Y N 0 -1.715 1.674 1.587
5 C05 C C05 N Y N 0 -1.591 1.136 0.313
6 C06 C C06 N Y N 0 -1.714 1.959 -0.8
7 C09 C C09 N Y N 0 -2.267 -1.236 0.031
8 C12 C C12 N Y N 0 -0.114 -0.848 0.071
9 C13 C C13 N N N 0 1.193 -0.195 0.141
10 C14 C C14 N N N 0 2.324 -0.932 0.048
11 C15 C C15 N Y N 0 3.63 -0.28 0.118
12 C18 C C18 N Y N 0 5.759 0.086 0.149
13 C19 C C19 N Y N 0 7.223 -0.094 0.119
14 C20 C C20 N Y N 0 8.067 1.013 0.246
15 C21 C C21 N Y N 0 9.423 0.846 0.218
16 C22 C C22 N Y N 0 9.966 -0.434 0.064
17 C23 C C23 N Y N 0 9.122 -1.541 -0.063
18 C24 C C24 N Y N 0 7.766 -1.374 -0.029
19 C25 C C25 N N N 0 11.387 -0.609 0.035
20 C28 C C28 N Y N 0 -3.736 -1.079 0.051
21 C29 C C29 N Y N 0 -4.554 -2.202 -0.077
22 C30 C C30 N Y N 0 -5.928 -2.038 -0.056
23 C31 C C31 N Y N 0 -6.441 -0.757 0.092
24 C32 C C32 N Y N 0 -5.571 0.313 0.214
25 C37 C C37 N N N 0 -8.628 -0.628 1.878
26 CL1 CL CL1 N N N 0 -1.567 1.291 -2.395
27 H01 H H01 N N N 0 -2.062 3.948 -1.5
28 H02 H H02 N N N 0 -2.278 4.895 0.762
29 H03 H H03 N N N 0 -2.058 3.442 2.736
30 H04 H H04 N N N 0 -1.619 1.037 2.454
31 H13 H H13 N N N 0 1.256 0.876 0.267
32 H14 H H14 N N N 0 2.261 -2.003 -0.079
33 H20 H H20 N N N 0 7.648 2.001 0.364
34 H21 H H21 N N N 0 10.075 1.701 0.315
35 H23 H H23 N N N 0 9.542 -2.529 -0.183
36 H24 H H24 N N N 0 7.115 -2.23 -0.127
37 H29 H H29 N N N 0 -4.122 -3.185 -0.191
38 H30 H H30 N N N 0 -6.587 -2.888 -0.153
39 H32 H H32 N N N 0 -5.968 1.311 0.329
40 H37 H H37 N N N 0 -8.092 0.131 2.448
41 H37A H H37A N N N 0 -9.702 -0.477 1.992
42 H37B H H37B N N N 0 -8.359 -1.618 2.247
43 N08 N N08 N Y N 0 -1.34 -0.232 0.15
44 N10 N N10 N Y N 0 -1.604 -2.366 -0.105
45 N11 N N11 N Y N 0 -0.339 -2.142 -0.078
46 N16 N N16 N Y N 0 3.851 1.012 0.27
47 N17 N N17 N Y N 0 5.119 1.228 0.288
48 N26 N N26 N N N 0 12.514 -0.749 0.012
49 N33 N N33 N Y N 0 -4.268 0.131 0.197
50 O27 O O27 N Y N 0 4.833 -0.889 0.045
51 O35 O O35 N N N 0 -8.344 0.842 -0.331
52 O36 O O36 N N N 0 -8.715 -1.588 -0.61
53 S34 S S34 N N N 0 -8.183 -0.494 0.124