Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : D42

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 54


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 4.23 2.98 0.622
2 C2 C C2 N N N 0 4.435 1.557 1.143
3 N3 N N3 N N N 0 4.127 0.593 0.079
4 C4 C C4 N N N 0 5.066 0.856 -1.019
5 C5 C C5 N N N 0 4.861 2.28 -1.54
6 N6 N N6 N N N 0 5.169 3.243 -0.476
7 C15 C C15 N N N 0 4.839 4.574 -1.004
8 N19 N N19 N N N 0 4.434 -0.644 0.57
9 C20 C C20 N N N 0 3.497 -1.612 0.591
10 N21 N N21 N N N 0 2.288 -1.392 0.037
11 C22 C C22 N Y N 0 1.363 -2.429 -0.049
12 C23 C C23 N Y N 0 1.798 -3.749 -0.122
13 C24 C C24 N Y N 0 0.884 -4.778 -0.207
14 C25 C C25 N Y N 0 -0.476 -4.512 -0.221
15 C26 C C26 N Y N 0 -0.933 -3.203 -0.148
16 C27 C C27 N Y N 0 -0.009 -2.147 -0.056
17 C31 C C31 N Y N 0 -2.305 -2.637 -0.143
18 C32 C C32 N Y N 0 -2.18 -1.179 -0.049
19 C33 C C33 N N N 0 -0.747 -0.87 0.002
20 N34 N N34 N Y N 0 -3.584 -2.917 -0.189
21 N35 N N35 N Y N 0 -4.327 -1.734 -0.13
22 C36 C C36 N Y N 0 -3.476 -0.67 -0.045
23 C37 C C37 N Y N 0 -3.855 0.745 0.036
24 S38 S S38 N Y N 0 -3.149 2.064 1.013
25 C39 C C39 N Y N 0 -4.205 3.333 0.476
26 N40 N N40 N Y N 0 -4.992 2.706 -0.372
27 C41 C C41 N Y N 0 -4.852 1.428 -0.625
28 C42 C C42 N N N 0 -5.762 0.725 -1.6
29 C46 C C46 N N N 0 -4.217 4.785 0.879
30 O47 O O47 N N N 0 3.741 -2.683 1.112
31 O50 O O50 N N N 0 -0.255 0.241 0.083
32 H11 H 1H1 N N N 0 4.408 3.691 1.429
33 H12 H 2H1 N N N 0 3.208 3.091 0.26
34 H21A H 1H2 N N N 0 3.774 1.383 1.992
35 H22 H 2H2 N N N 0 5.471 1.431 1.458
36 H41 H 1H4 N N N 0 4.888 0.146 -1.826
37 H42 H 2H4 N N N 0 6.088 0.746 -0.657
38 H51 H 1H5 N N N 0 3.826 2.405 -1.855
39 H52 H 2H5 N N N 0 5.522 2.453 -2.389
40 H151 H 1H15 N N N 0 3.781 4.609 -1.265
41 H152 H 2H15 N N N 0 5.051 5.328 -0.246
42 H153 H 3H15 N N N 0 5.439 4.772 -1.892
43 H19 H H19 N N N 0 5.327 -0.826 0.902
44 H21 H H21 N N N 0 2.063 -0.512 -0.303
45 H23 H H23 N N N 0 2.856 -3.968 -0.113
46 H24 H H24 N N N 0 1.23 -5.799 -0.264
47 H25 H H25 N N N 0 -1.183 -5.326 -0.288
48 H35 H H35 N N N 0 -5.295 -1.678 -0.148
49 H421 H 1H42 N N N 0 -5.333 0.779 -2.6
50 H422 H 2H42 N N N 0 -5.871 -0.319 -1.306
51 H423 H 3H42 N N N 0 -6.739 1.208 -1.597
52 H461 H 1H46 N N N 0 -3.569 5.353 0.211
53 H462 H 2H46 N N N 0 -5.234 5.172 0.814
54 H463 H 3H46 N N N 0 -3.857 4.881 1.903