Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 2HB

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 C8 C C1 N Y N 0 2.5 2.193 -0.35
2 C5 C C2 N N N 0 5.766 0.384 -0.292
3 C2 C C3 N N N 0 3.593 -1.601 0.426
4 C4 C C4 N N N 0 6.266 -0.764 0.59
5 C1 C C5 N N N 0 3.446 -0.343 -0.435
6 C7 C C6 N N N 0 3.99 2.013 -0.484
7 C9 C C7 N Y N 0 1.974 2.747 0.803
8 C10 C C8 N Y N 0 0.61 2.914 0.933
9 C11 C C9 N Y N 0 -0.239 2.523 -0.104
10 C12 C C10 N Y N 0 0.299 1.965 -1.265
11 C13 C C11 N Y N 0 1.664 1.808 -1.383
12 C14 C C12 N Y N 0 -1.7 2.699 0.027
13 C15 C C13 N Y N 0 -2.229 3.956 0.11
14 C16 C C14 N Y N 0 -3.611 4.128 0.235
15 C17 C C15 N Y N 0 -4.428 3.036 0.273
16 C18 C C16 N Y N 0 -3.869 1.749 0.187
17 C21 C C17 N Y N 0 -3.442 -0.379 0.072
18 C24 C C18 N N N 0 -4.885 -2.266 0.15
19 C26 C C19 N N N 0 -5.098 -3.758 0.12
20 C27 C C20 N N N 0 -6.535 -4.269 0.242
21 C28 C C21 N N N 0 -5.806 -4.346 -1.102
22 O30 O O1 N N N 0 5.52 -3.213 1.243
23 S3 S S1 N N N 0 5.28 -2.249 0.228
24 O29 O O2 N N N 0 5.475 -2.604 -1.134
25 N6 N N1 N N N 0 4.372 0.692 0.033
26 N19 N N2 N Y N 0 -2.517 1.603 0.06
27 N20 N N3 N Y N 0 -2.273 0.224 -0.007
28 N23 N N4 N N N 0 -3.639 -1.761 0.045
29 O25 O O3 N N N 0 -5.833 -1.52 0.269
30 N22 N N5 N Y N 0 -4.403 0.531 0.198
31 H1 H H1 N N N 0 6.382 1.267 -0.121
32 H2 H H2 N N N 0 5.837 0.091 -1.34
33 H3 H H3 N N N 0 3.417 -1.352 1.472
34 H4 H H4 N N N 0 2.873 -2.352 0.101
35 H5 H H5 N N N 0 7.316 -0.961 0.373
36 H6 H H6 N N N 0 6.154 -0.494 1.64
37 H7 H H7 N N N 0 3.67 -0.586 -1.473
38 H8 H H8 N N N 0 2.424 0.028 -0.363
39 H9 H H9 N N N 0 4.272 2.088 -1.534
40 H10 H H10 N N N 0 4.502 2.788 0.086
41 H11 H H11 N N N 0 2.632 3.049 1.605
42 H12 H H12 N N N 0 0.201 3.347 1.834
43 H13 H H13 N N N 0 -0.353 1.66 -2.071
44 H14 H H14 N N N 0 2.081 1.376 -2.281
45 H15 H H15 N N N 0 -1.579 4.818 0.079
46 H16 H H16 N N N 0 -4.03 5.121 0.301
47 H17 H H17 N N N 0 -5.496 3.16 0.37
48 H18 H H18 N N N 0 -4.311 -4.354 0.581
49 H19 H H19 N N N 0 -6.693 -5.202 0.783
50 H20 H H20 N N N 0 -7.326 -3.526 0.344
51 H24 H H24 N N N 0 -2.88 -2.358 -0.05
52 H21 H H21 N N N 0 -6.118 -3.654 -1.884
53 H22 H H22 N N N 0 -5.485 -5.33 -1.444