Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PRB

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 59


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 1.685 1.222 2.321
2 C2 C C2 N N N 0 1.979 0.63 3.483
3 C3 C C3 N N N 0 1.012 -0.42 3.823
4 O3 O O3 N N N 0 0.929 -1.024 4.875
5 C4 C C4 R N N 0 0.139 -0.605 2.6
6 O4 O O4 N N N 0 0.606 -1.761 1.903
7 C5 C C5 N N N 0 -1.311 -0.802 2.919
8 C6 C C6 N N N 0 -2.242 0.068 2.157
9 C7 C C7 N N N 0 -2.138 0.339 0.9
10 C8 C C8 S N N 0 -1.067 -0.216 0.024
11 C9 C C9 S N N 0 0.277 0.476 0.293
12 O9 O O9 N N N 0 0.197 1.786 -0.29
13 C10 C C10 S N N 0 0.42 0.64 1.774
14 C11 C C11 R N N 0 1.347 -0.309 -0.443
15 C12 C C12 R N N 0 1.19 -0.104 -1.954
16 O12 O O12 N N N 0 1.944 -1.106 -2.641
17 C13 C C13 S N N 0 -0.236 -0.107 -2.448
18 C14 C C14 R N N 0 -1.397 -0.121 -1.453
19 C15 C C15 N N N 0 -1.139 -1.326 -2.36
20 C16 C C16 N N N 0 -2.12 -1.54 -3.526
21 C17 C C17 N N N 0 -0.576 -2.617 -1.772
22 O20 O O20 N N N 0 -4.159 1.499 2.023
23 C18 C C18 N N N 0 2.762 0.138 -0.065
24 C19 C C19 N N N 0 3.176 0.984 4.329
25 C20 C C20 N N N 0 -3.385 0.691 2.912
26 OA1 O OA1 N N N 0 -0.454 0.731 -3.621
27 H1 H H1 N N N 0 2.271 2.012 1.871
28 CA1 C CA1 N N N 0 0.507 0.851 -4.549
29 OA2 O OA2 N N N 0 1.555 0.265 -4.412
30 CA2 C CA2 N N N 0 0.282 1.718 -5.761
31 HO4 H HO4 N N N 0 0.464 -2.516 2.49
32 H51 H 1H5 N N N 0 -1.454 -0.612 3.98
33 H52 H 2H5 N N N 0 -1.565 -1.839 2.712
34 H7 H H7 N N N 0 -2.862 1.003 0.459
35 H8 H H8 N N N 0 -0.948 -1.258 0.303
36 HO9 H HO9 N N N 0 1.017 2.245 -0.062
37 H10 H H10 N N N 0 -0.373 1.373 2.065
38 H11 H H11 N N N 0 1.252 -1.375 -0.219
39 H12 H H12 N N N 0 1.637 0.87 -2.204
40 HO12 H 2HO1 N N N 0 2.866 -0.997 -2.37
41 H14 H H14 N N N 0 -2.255 0.514 -1.698
42 H161 H 1H16 N N N 0 -2.712 -2.437 -3.343
43 H162 H 2H16 N N N 0 -2.783 -0.678 -3.606
44 H163 H 3H16 N N N 0 -1.562 -1.656 -4.455
45 H171 H 1H17 N N N 0 -1.339 -3.395 -1.809
46 H172 H 2H17 N N N 0 0.291 -2.932 -2.351
47 H173 H 3H17 N N N 0 -0.281 -2.446 -0.737
48 H181 H 1H18 N N N 0 3.49 -0.431 -0.642
49 H182 H 2H18 N N N 0 2.878 1.2 -0.281
50 H183 H 3H18 N N N 0 2.926 -0.035 0.998
51 H191 H 1H19 N N N 0 3.188 0.358 5.222
52 H192 H 2H19 N N N 0 4.088 0.817 3.757
53 H193 H 3H19 N N N 0 3.117 2.032 4.622
54 H201 H 1H20 N N N 0 -4.015 -0.093 3.331
55 H202 H 2H20 N N N 0 -2.993 1.311 3.718
56 HO20 H 0HO2 N N N 0 -4.879 1.879 2.545
57 HA21 H 1HA2 N N N 0 1.167 1.692 -6.396
58 HA22 H 2HA2 N N N 0 -0.576 1.344 -6.319
59 HA23 H 3HA2 N N N 0 0.091 2.743 -5.444