Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PO1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 58


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 4.192 -0.266 0.586
2 C2 C C2 N Y N 0 3.52 0.909 0.908
3 O2 O O2 N N N 0 4.815 -0.615 -1.765
4 S1 S S1 N N N 0 5.827 0.052 -1.023
5 O1 O O1 N N N 0 7.226 -0.128 -1.193
6 N1 N N1 N N N 0 5.552 1.67 -1.241
7 O3 O O3 N N N 0 5.544 -0.265 0.439
8 C3 C C3 N Y N 0 2.144 0.892 1.048
9 C4 C C4 N Y N 0 1.431 -0.286 0.872
10 C5 C C5 N Y N 0 2.096 -1.452 0.55
11 C6 C C6 N Y N 0 3.477 -1.429 0.404
12 O4 O O4 N N N 0 4.211 2.068 1.08
13 C7 C C7 N N N 0 3.25 3.079 1.392
14 C8 C C8 S N N 0 -0.059 -0.247 1.051
15 C12 C C12 N N N 0 -0.657 1.063 0.559
16 C9 C C9 S N N 0 -0.71 -1.444 0.345
17 C10 C C10 N N N 0 -0.032 -2.716 0.854
18 C11 C C11 N N N 0 1.392 -2.752 0.301
19 C14 C C14 S N N 0 -2.75 -0.128 0.027
20 C13 C C13 N N N 0 -2.185 1.071 0.759
21 C15 C C15 S N N 0 -2.185 -1.412 0.696
22 C16 C C16 N N N 0 -2.322 -0.083 -1.441
23 C17 C C17 S N N 0 -4.258 -0.339 0.114
24 C18 C C18 N N N 0 -4.46 -1.874 0.07
25 C19 C C19 N N N 0 -3.039 -2.502 0.047
26 O5 O O5 N N N 0 -4.909 0.281 -0.998
27 S2 S S2 N N N 0 -6.24 0.813 -0.487
28 O6 O O6 N N N 0 -6.712 -0.154 0.441
29 O7 O O7 N N N 0 -6.944 1.261 -1.638
30 N2 N N2 N N N 0 -5.921 2.172 0.403
31 HN11 H 1HN1 N N N 0 5.264 2.218 -0.494
32 HN12 H 2HN1 N N N 0 5.678 2.07 -2.116
33 H3 H H3 N N N 0 1.62 1.803 1.296
34 H6 H H6 N N N 0 4.0 -2.332 0.128
35 H71 H 1H7 N N N 0 3.76 4.031 1.539
36 H72 H 2H7 N N N 0 2.539 3.17 0.571
37 H73 H 3H7 N N N 0 2.719 2.806 2.304
38 H8 H H8 N N N 0 -0.27 -0.333 2.117
39 H9 H H9 N N N 0 -0.583 -1.363 -0.735
40 H101 H 1H10 N N N 0 -0.003 -2.707 1.943
41 H102 H 2H10 N N N 0 -0.583 -3.59 0.507
42 H111 H 1H11 N N N 0 1.95 -3.544 0.802
43 H112 H 2H11 N N N 0 1.355 -2.964 -0.768
44 H121 H 1H12 N N N 0 -0.217 1.89 1.116
45 H122 H 2H12 N N N 0 -0.433 1.185 -0.501
46 H131 H 1H13 N N N 0 -2.419 1.0 1.821
47 H132 H 2H13 N N N 0 -2.607 1.988 0.348
48 H15 H H15 N N N 0 -2.34 -1.397 1.775
49 H161 H 1H16 N N N 0 -1.237 0.006 -1.5
50 H162 H 2H16 N N N 0 -2.639 -0.999 -1.94
51 H163 H 3H16 N N N 0 -2.784 0.775 -1.928
52 H17 H H17 N N N 0 -4.643 0.066 1.05
53 H181 H 1H18 N N N 0 -5.002 -2.206 0.955
54 H182 H 2H18 N N N 0 -5.007 -2.154 -0.831
55 H191 H 1H19 N N N 0 -3.012 -3.415 0.643
56 H192 H 2H19 N N N 0 -2.72 -2.698 -0.976
57 HN21 H 1HN2 N N N 0 -5.007 2.479 0.51
58 HN22 H 2HN2 N N N 0 -6.649 2.662 0.817