Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 80I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 71


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N Y N 0 8.716 -1.231 -1.297
2 C13 C C2 N N N 0 10.332 0.101 0.41
3 C15 C C3 S N N 0 0.954 1.079 0.733
4 C20 C C4 S N N 0 -3.814 -2.448 1.147
5 C21 C C5 N N N 0 -3.351 -3.177 -0.096
6 C24 C C6 N N N 0 -4.01 -3.568 2.195
7 C26 C C7 N N N 0 -3.842 0.504 0.566
8 C02 C C8 N N N 0 3.376 0.83 0.653
9 C03 C C9 N Y N 0 4.594 0.246 0.075
10 C05 C C10 N Y N 0 5.864 0.502 0.487
11 C06 C C11 N Y N 0 6.741 -0.254 -0.324
12 C11 C C15 N Y N 0 8.14 -0.393 -0.363
13 C07 C C12 N Y N 0 5.944 -0.972 -1.236
14 C08 C C13 N Y N 0 6.551 -1.818 -2.16
15 C09 C C14 N Y N 0 7.923 -1.939 -2.189
16 C16 C C16 N N N 0 -0.213 0.16 0.479
17 C18 C C17 S N N 0 -2.596 -0.342 0.578
18 C19 C C18 N N N 0 -2.746 -1.457 1.615
19 C23 C C19 N N N 0 -3.057 -4.663 1.668
20 C27 C C20 N N N 0 -4.939 0.217 -0.427
21 C35 C C21 N N N 0 0.683 2.438 0.086
22 C36 C C22 N N N 0 1.808 3.409 0.448
23 C37 C C23 N N N 0 1.603 4.729 -0.299
24 C38 C C24 N N N 0 1.792 3.669 1.956
25 N04 N N1 N Y N 0 4.633 -0.652 -0.976
26 N14 N N2 N N N 0 2.168 0.497 0.157
27 N17 N N3 N N N 0 -1.442 0.493 0.923
28 N22 N N4 N N N 0 -2.937 -4.415 0.222
29 O01 O O1 N N N 0 3.458 1.613 1.581
30 O12 O O2 N N N 0 8.919 0.293 0.511
31 O25 O O3 N N N 0 -3.354 -2.711 -1.216
32 O28 O O4 N N N 0 -6.021 1.127 -0.219
33 O30 O O5 N N N 0 -7.01 1.493 -2.627
34 O31 O O6 N N N 0 -7.964 -0.244 -1.064
35 O32 O O7 N N N 0 -8.413 2.177 -0.511
36 O33 O O8 N N N 0 -3.963 1.413 1.353
37 H2 H H2 N N N 0 10.568 -0.951 0.571
38 O34 O O9 N N N 0 -0.047 -0.879 -0.124
39 P29 P P1 N N N 0 -7.365 1.109 -1.104
40 H1 H H1 N N N 0 9.79 -1.34 -1.33
41 H3 H H3 N N N 0 10.67 0.402 -0.581
42 H4 H H4 N N N 0 10.835 0.706 1.165
43 H5 H H5 N N N 0 1.087 1.208 1.807
44 H6 H H6 N N N 0 -4.755 -1.933 0.958
45 H7 H H7 N N N 0 -3.707 -3.231 3.187
46 H8 H H8 N N N 0 -5.042 -3.918 2.203
47 H9 H H9 N N N 0 6.151 1.165 1.29
48 H10 H H10 N N N 0 5.946 -2.375 -2.86
49 H11 H H11 N N N 0 8.386 -2.591 -2.915
50 H12 H H12 N N N 0 -2.445 -0.781 -0.408
51 H13 H H13 N N N 0 -3.045 -1.026 2.571
52 H14 H H14 N N N 0 -1.795 -1.976 1.731
53 H15 H H15 N N N 0 -2.082 -4.578 2.148
54 H16 H H16 N N N 0 -4.553 0.337 -1.439
55 H17 H H17 N N N 0 -5.293 -0.805 -0.292
56 H18 H H18 N N N 0 0.637 2.323 -0.997
57 H19 H H19 N N N 0 -0.267 2.831 0.449
58 H20 H H20 N N N 0 2.767 2.976 0.164
59 H21 H H21 N N N 0 0.644 5.162 -0.014
60 H22 H H22 N N N 0 2.405 5.421 -0.04
61 H23 H H23 N N N 0 1.615 4.544 -1.373
62 H24 H H24 N N N 0 1.938 2.729 2.488
63 H25 H H25 N N N 0 2.594 4.361 2.214
64 H26 H H26 N N N 0 0.833 4.102 2.24
65 H27 H H27 N N N 0 3.861 -0.999 -1.451
66 H28 H H28 N N N 0 2.103 -0.128 -0.582
67 H29 H H29 N N N 0 -1.562 1.284 1.47
68 H30 H H30 N N N 0 -6.613 2.369 -2.729
69 H31 H H31 N N N 0 -9.248 2.22 -0.997
70 H32 H H32 N N N 0 -2.603 -5.063 -0.419
71 H33 H H33 N N N 0 -3.481 -5.651 1.85