Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JJI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 64


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 S N N 0 -0.704 -0.846 0.407
2 C02 C C2 N Y N 0 0.117 -2.099 0.228
3 C03 C C3 N Y N 0 1.953 -3.315 -0.058
4 C04 C C4 N Y N 0 1.064 -4.332 -0.032
5 C05 C C5 N N N 0 3.406 -3.499 -0.228
6 C06 C C6 S N N 0 5.645 -2.59 -0.389
7 C07 C C7 N Y N 0 6.333 -1.26 -0.208
8 C08 C C8 N Y N 0 6.499 0.937 0.076
9 C09 C C9 N Y N 0 7.819 0.656 0.063
10 C10 C C10 N N N 0 5.95 2.296 0.241
11 C11 C C11 S N N 0 4.056 3.799 0.404
12 C12 C C12 N Y N 0 2.551 3.707 0.43
13 C13 C C13 N Y N 0 0.563 2.716 0.449
14 C14 C C14 N Y N 0 0.129 3.994 0.474
15 C15 C C15 N N N 0 -0.337 1.548 0.446
16 C16 C C16 N N N 0 5.941 -3.138 -1.786
17 C17 C C17 N N N 0 4.501 4.682 -0.764
18 C18 C C18 N N N 0 -1.687 -0.7 -0.756
19 N01 N N1 N N N 0 0.225 0.306 0.425
20 N02 N N2 N Y N 0 1.396 -2.109 0.087
21 N03 N N3 N N N 0 4.19 -2.382 -0.232
22 N04 N N4 N Y N 0 5.718 -0.137 -0.076
23 N05 N N5 N N N 0 4.592 2.433 0.23
24 N06 N N6 N Y N 0 1.894 2.6 0.426
25 O01 O O1 N N N 0 3.89 -4.607 -0.36
26 O02 O O2 N N N 0 6.68 3.259 0.383
27 O03 O O3 N N N 0 -1.545 1.688 0.462
28 S01 S S1 N Y N 0 -0.505 -3.687 0.184
29 S02 S S2 N Y N 0 8.023 -1.029 -0.15
30 S03 S S3 N Y N 0 1.484 5.038 0.467
31 S04 S S4 N N N 0 -2.803 -2.13 -0.788
32 S S S5 N N N 0 -4.087 -1.748 0.764
33 C1 C C19 N Y N 0 -5.301 -0.706 0.026
34 C2 C C20 N Y N 0 -6.415 -0.31 0.756
35 N2 N N7 N N N 1 -6.584 -0.762 2.155
36 O21 O O4 N N N 0 -7.608 -0.501 2.761
37 O22 O O5 N N N -1 -5.698 -1.396 2.701
38 C3 C C21 N Y N 0 -7.365 0.506 0.174
39 C4 C C22 N Y N 0 -7.209 0.929 -1.133
40 N4 N N8 N N N 1 -8.23 1.803 -1.754
41 O41 O O6 N N N 0 -9.206 2.149 -1.113
42 O42 O O7 N N N -1 -8.094 2.176 -2.905
43 C5 C C23 N Y N 0 -6.101 0.537 -1.863
44 C6 C C24 N Y N 0 -5.144 -0.274 -1.286
45 H5 H H1 N N N 0 -1.251 -0.894 1.349
46 H19 H H4 N N N 0 1.305 -5.379 -0.133
47 H6 H H6 N N N 0 5.999 -3.293 0.365
48 H7 H H7 N N N 0 8.616 1.377 0.17
49 H8 H H8 N N N 0 4.416 4.221 1.343
50 H9 H H9 N N N 0 -0.905 4.307 0.495
51 H10 H H10 N N N 0 7.016 -3.269 -1.905
52 H11 H H11 N N N 0 5.442 -4.099 -1.913
53 H12 H H12 N N N 0 5.575 -2.438 -2.537
54 H1 H H13 N N N 0 4.08 5.681 -0.645
55 H2 H H14 N N N 0 5.589 4.746 -0.778
56 H3 H H15 N N N 0 4.15 4.249 -1.701
57 H13 H H16 N N N 0 -2.27 0.212 -0.628
58 H14 H H17 N N N 0 -1.135 -0.65 -1.694
59 H15 H H18 N N N 0 1.187 0.183 0.422
60 H16 H H19 N N N 0 3.811 -1.494 -0.137
61 H17 H H20 N N N 0 4.006 1.669 0.113
62 H21 H H21 N N N 0 -8.232 0.814 0.74
63 H22 H H22 N N N 0 -5.982 0.869 -2.883
64 H23 H H23 N N N 0 -4.277 -0.576 -1.855