Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : DJ1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 80


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C15 C C1 N N N 0 -2.862 2.752 -1.422
2 C17 C C2 N N N 0 -2.835 5.094 -2.208
3 C20 C C3 N N N 0 -4.095 0.573 0.511
4 C12 C C4 N N N 0 -1.77 -0.283 0.402
5 N14 N N1 N N N 0 -2.302 2.006 -0.287
6 C16 C C5 N N N 0 -1.928 3.914 -1.818
7 C18 C C6 N N N 0 -4.289 4.608 -2.036
8 C19 C C7 N N N 0 -4.184 3.45 -1.013
9 C01 C C8 N N N 0 4.8 2.033 2.54
10 C02 C C9 N N N 0 3.774 2.691 1.615
11 C03 C C10 N N N 0 2.434 2.812 2.345
12 C04 C C11 N N N 0 4.266 4.084 1.217
13 C06 C C12 N N N 0 3.107 0.64 0.595
14 C09 C C13 S N N 0 2.218 -1.445 -0.301
15 C10 C C14 N N N 0 0.896 -1.258 0.447
16 C13 C C15 R N N 0 -2.804 0.626 -0.266
17 C23 C C16 N N N 0 -6.21 -0.498 1.074
18 C24 C C17 N Y N 0 -6.985 -1.728 0.677
19 C25 C C18 N Y N 0 -6.801 -2.923 1.356
20 C26 C C19 N Y N 0 -7.535 -4.029 0.956
21 C27 C C20 N Y N 0 -8.42 -3.905 -0.098
22 C29 C C21 N Y N 0 -7.892 -1.679 -0.365
23 C30 C C22 N N N 0 3.134 -2.368 0.506
24 C31 C C23 N Y N 0 4.384 -2.651 -0.286
25 C32 C C24 N Y N 0 4.605 -3.712 -1.078
26 C34 C C25 N Y N 0 6.481 -2.481 -1.201
27 C35 C C26 N Y N 0 5.588 -1.817 -0.341
28 C36 C C27 N Y N 0 5.96 -0.61 0.253
29 C37 C C28 N Y N 0 7.192 -0.078 -0.006
30 C38 C C29 N Y N 0 8.076 -0.729 -0.854
31 C39 C C30 N Y N 0 7.73 -1.921 -1.451
32 N08 N N2 N N N 0 2.868 -0.144 -0.476
33 N22 N N3 N N N 0 -4.955 -0.447 0.319
34 N28 N N4 N Y N 0 -8.569 -2.752 -0.722
35 N33 N N5 N Y N 0 5.853 -3.628 -1.632
36 O05 O O1 N N N 0 3.605 1.879 0.424
37 O07 O O2 N N N 0 2.873 0.228 1.713
38 O21 O O3 N N N 0 -4.36 1.448 1.308
39 S11 S S1 N N N 0 -0.236 -0.266 -0.565
40 H1 H H1 N N N 0 -3.026 2.088 -2.271
41 H2 H H2 N N N 0 -2.646 5.944 -1.552
42 H3 H H3 N N N 0 -2.656 5.376 -3.246
43 H4 H H4 N N N 0 -1.568 0.077 1.411
44 H5 H H5 N N N 0 -2.496 2.475 0.585
45 H7 H H7 N N N 0 -1.298 4.192 -0.973
46 H8 H H8 N N N 0 -1.309 3.623 -2.666
47 H9 H H9 N N N 0 -4.915 5.409 -1.642
48 H10 H H10 N N N 0 -4.685 4.245 -2.984
49 H11 H H11 N N N 0 -5.028 2.767 -1.114
50 H12 H H12 N N N 0 -4.118 3.837 0.004
51 H13 H H13 N N N 0 4.45 1.041 2.823
52 H14 H H14 N N N 0 5.755 1.947 2.02
53 H15 H H15 N N N 0 4.927 2.643 3.434
54 H16 H H16 N N N 0 2.533 3.515 3.172
55 H17 H H17 N N N 0 1.675 3.172 1.651
56 H18 H H18 N N N 0 2.141 1.836 2.73
57 H22 H H22 N N N 0 2.023 -1.888 -1.277
58 H19 H H19 N N N 0 5.22 3.998 0.698
59 H20 H H20 N N N 0 3.535 4.553 0.559
60 H21 H H21 N N N 0 4.393 4.694 2.112
61 H23 H H23 N N N 0 0.449 -2.232 0.643
62 H24 H H24 N N N 0 1.082 -0.747 1.391
63 H25 H H25 N N N 0 -2.98 0.287 -1.287
64 H26 H H26 N N N 0 -6.802 0.39 0.855
65 H27 H H27 N N N 0 -5.991 -0.535 2.141
66 H28 H H28 N N N 0 -6.102 -2.991 2.176
67 H29 H H29 N N N 0 -7.417 -4.976 1.462
68 H30 H H30 N N N 0 -8.995 -4.762 -0.416
69 H31 H H31 N N N 0 -8.044 -0.751 -0.896
70 H32 H H32 N N N 0 3.4 -1.885 1.446
71 H33 H H33 N N N 0 2.615 -3.304 0.712
72 H34 H H34 N N N 0 3.902 -4.512 -1.253
73 H35 H H35 N N N 0 5.276 -0.098 0.914
74 H36 H H36 N N N 0 7.479 0.856 0.454
75 H37 H H37 N N N 0 9.046 -0.295 -1.05
76 H38 H H38 N N N 0 8.426 -2.42 -2.109
77 H39 H H39 N N N 0 3.127 0.154 -1.362
78 H40 H H40 N N N 0 -4.744 -1.147 -0.318
79 H42 H H42 N N N 0 -2.158 -1.3 0.451
80 H41 H H41 N N N 0 6.239 -4.28 -2.238