Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : D3J

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 C4 C C1 N Y N 0 -1.35 4.631 0.688
2 C14 C C2 N N N 0 0.558 -0.382 -0.689
3 C5 C C3 N Y N 0 -2.22 3.294 -1.576
4 C6 C C4 N Y N 0 -2.244 2.658 -0.35
5 C11 C C5 N Y N 0 -1.995 -0.714 1.105
6 C7 C C6 N Y N 0 -1.814 3.327 0.787
7 C9 C C7 N Y N 0 -2.181 1.392 2.027
8 C12 C C8 R N N 0 -1.427 -1.605 0.03
9 C3 C C9 N Y N 0 -1.322 5.262 -0.54
10 F1 F F1 N N N 0 -1.728 5.213 -2.873
11 C2 C C10 N Y N 0 -1.757 4.595 -1.673
12 O8 O O1 N N N 0 -1.847 2.707 1.995
13 N10 N N1 N Y N 0 -1.7 0.572 1.107
14 N13 N N2 N N N 0 -0.704 -0.779 -0.937
15 C15 C C11 N N N 0 1.263 -0.893 0.49
16 S16 S S1 N N N 0 2.756 -0.13 1.032
17 C17 C C12 N Y N 0 3.898 -0.543 -0.245
18 C18 C C13 N Y N 0 5.237 -0.188 -0.124
19 C19 C C14 N Y N 0 6.13 -0.514 -1.127
20 C20 C C15 N Y N 0 5.692 -1.193 -2.25
21 C21 C C16 N Y N 0 4.361 -1.548 -2.373
22 C22 C C17 N Y N 0 3.464 -1.23 -1.372
23 CL23 CL CL1 N N N 0 5.786 0.665 1.285
24 C24 C C18 N N N 0 0.761 -1.951 1.157
25 O25 O O2 N N N 0 1.382 -2.405 2.268
26 C26 C C19 N N N 0 -0.492 -2.625 0.664
27 O27 O O3 N N N 0 1.113 0.395 -1.443
28 C28 C C20 N Y N 0 -2.552 -2.325 -0.667
29 C29 C C21 N Y N 0 -3.012 -3.508 -0.255
30 S30 S S2 N Y N 0 -4.323 -4.029 -1.305
31 C31 C C22 N Y N 0 -4.169 -2.569 -2.273
32 C32 C C23 N Y N 0 -3.191 -1.807 -1.781
33 C33 C C24 N Y N 0 -2.822 -1.253 2.07
34 C34 C C25 N Y N 0 -3.342 -0.427 3.057
35 C35 C C26 N Y N 0 -3.01 0.917 3.035
36 H1 H H1 N N N 0 -1.016 5.154 1.572
37 H2 H H2 N N N 0 -2.555 2.773 -2.461
38 H3 H H3 N N N 0 -2.598 1.64 -0.276
39 H4 H H4 N N N 0 -0.961 6.277 -0.617
40 H5 H H5 N N N 0 -1.138 -0.515 -1.763
41 H6 H H6 N N N 0 7.17 -0.239 -1.034
42 H7 H H7 N N N 0 6.392 -1.446 -3.033
43 H8 H H8 N N N 0 4.024 -2.082 -3.249
44 H9 H H9 N N N 0 2.425 -1.508 -1.469
45 H10 H H10 N N N 0 2.131 -1.863 2.55
46 H11 H H11 N N N 0 -0.999 -3.111 1.498
47 H12 H H12 N N N 0 -0.221 -3.377 -0.078
48 H13 H H13 N N N 0 -2.636 -4.061 0.593
49 H14 H H14 N N N 0 -4.774 -2.326 -3.134
50 H15 H H15 N N N 0 -2.921 -0.856 -2.215
51 H16 H H16 N N N 0 -3.062 -2.306 2.058
52 H17 H H17 N N N 0 -3.992 -0.823 3.823
53 H18 H H18 N N N 0 -3.4 1.589 3.785