Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JL5

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 70


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 1.778 0.719 1.546
2 C8 C C2 N Y N 0 1.493 1.913 0.843
3 N3 N N1 N Y N 0 3.011 3.013 2.273
4 C2 C C3 N Y N 0 3.236 1.881 2.898
5 N1 N N2 N Y N 0 2.639 0.755 2.55
6 C6 C C4 N Y N 0 0.572 3.418 -0.703
7 C12 C C5 R N N 0 1.459 -1.588 2.007
8 C13 C C6 N N N 0 1.479 -2.839 1.127
9 C14 C C7 N N N 0 0.397 -1.735 3.066
10 C7 C C8 N Y N 0 0.597 2.155 -0.281
11 C9 C C9 N Y N 0 2.151 3.076 1.249
12 C10 C C10 N N N 0 -0.273 3.916 -1.847
13 C34 C C11 N N N 0 -4.369 0.534 -0.381
14 C35 C C12 N N N 0 -5.732 0.09 0.154
15 N36 N N3 N N N 0 -5.57 -0.454 1.509
16 C39 C C13 N N N 0 -6.87 -0.823 2.087
17 C37 C C14 N N N 0 -4.651 -1.601 1.506
18 C38 C C15 N N N 0 -3.288 -1.157 0.971
19 N32 N N4 N N N 0 -3.45 -0.613 -0.384
20 C26 C C16 N Y N 0 -2.212 -0.262 -0.935
21 C28 C C17 N Y N 0 -1.452 0.739 -0.352
22 C25 C C18 N Y N 0 -1.74 -0.923 -2.067
23 O30 O O1 N N N 0 -2.484 -1.91 -2.637
24 C27 C C19 N Y N 0 -0.514 -0.577 -2.614
25 CL CL CL1 N N N 0 0.069 -1.403 -4.025
26 C24 C C20 N Y N 0 0.245 0.424 -2.039
27 C29 C C21 N N N 0 1.577 0.797 -2.636
28 C23 C C22 N Y N 0 -0.219 1.085 -0.902
29 C22 C C23 N N N 0 -1.634 4.371 -1.314
30 S5 S S1 N Y N 0 1.655 4.426 0.238
31 O11 O O2 N N N 0 1.173 -0.443 1.201
32 O16 O O3 N N N 0 -0.559 -0.997 3.07
33 O15 O O4 N N N 0 0.514 -2.687 4.005
34 C17 C C24 N Y N 0 2.618 -2.744 0.144
35 C18 C C25 N Y N 0 2.423 -2.138 -1.083
36 C21 C C26 N Y N 0 3.467 -2.051 -1.985
37 C19 C C27 N Y N 0 4.707 -2.569 -1.659
38 C20 C C28 N Y N 0 4.902 -3.174 -0.431
39 C33 C C29 N Y N 0 3.859 -3.257 0.472
40 H1 H H1 N N N 0 3.937 1.868 3.72
41 H2 H H2 N N N 0 2.432 -1.463 2.483
42 H3 H H3 N N N 0 1.612 -3.721 1.752
43 H4 H H4 N N N 0 0.537 -2.917 0.585
44 H5 H H5 N N N 0 0.227 4.755 -2.33
45 H6 H H6 N N N 0 -0.416 3.113 -2.57
46 H7 H H7 N N N 0 -4.482 0.911 -1.397
47 H8 H H8 N N N 0 -3.967 1.321 0.257
48 H9 H H9 N N N 0 -6.407 0.946 0.184
49 H10 H H10 N N N 0 -6.147 -0.678 -0.5
50 H12 H H12 N N N 0 -7.345 -1.578 1.462
51 H13 H H13 N N N 0 -6.721 -1.223 3.09
52 H14 H H14 N N N 0 -7.507 0.06 2.139
53 H15 H H15 N N N 0 -4.538 -1.979 2.523
54 H16 H H16 N N N 0 -5.054 -2.388 0.869
55 H17 H H17 N N N 0 -2.873 -0.39 1.625
56 H18 H H18 N N N 0 -2.613 -2.013 0.942
57 H19 H H19 N N N 0 -1.814 1.25 0.528
58 H20 H H20 N N N 0 -3.097 -1.597 -3.316
59 H21 H H21 N N N 0 1.436 1.588 -3.373
60 H22 H H22 N N N 0 2.243 1.149 -1.847
61 H23 H H23 N N N 0 2.016 -0.076 -3.119
62 H24 H H24 N N N 0 -2.246 4.731 -2.142
63 H28 H H28 N N N 0 1.454 -1.734 -1.338
64 H25 H H25 N N N 0 -2.134 3.531 -0.831
65 H26 H H26 N N N 0 -1.492 5.174 -0.591
66 H27 H H27 N N N 0 -0.192 -2.743 4.663
67 H29 H H29 N N N 0 3.314 -1.579 -2.944
68 H30 H H30 N N N 0 5.523 -2.501 -2.363
69 H31 H H31 N N N 0 5.87 -3.578 -0.176
70 H32 H H32 N N N 0 4.012 -3.726 1.433