Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : IYI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 93


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N1 N N1 N N N 0 -9.784 0.726 -0.798
2 C7 C C1 N N N 0 -7.178 -1.783 0.331
3 C8 C C2 N N N 0 -7.979 -0.917 -0.642
4 N2 N N2 N N N 1 3.562 5.637 -1.181
5 C9 C C3 N N N 0 -9.017 -0.104 0.134
6 O1 O O1 N N N 0 -1.656 -4.906 -0.851
7 C1 C C4 N N N 0 0.238 -4.439 -2.277
8 O5 O O2 N N N 0 7.088 2.57 -0.505
9 C5 C C5 N N N 0 -5.339 -3.463 0.529
10 C6 C C6 N N N 0 -6.14 -2.596 -0.445
11 N3 N N3 N N N 0 10.774 -0.391 0.133
12 C4 C C7 N N N 0 -3.563 -5.07 0.624
13 O4 O O3 N N N 0 -11.666 2.121 -1.459
14 C3 C C8 N N N 0 -2.567 -5.831 -0.253
15 O3 O O4 N N N 0 -11.947 0.359 0.256
16 C2 C C9 N N N 0 -0.678 -5.517 -1.695
17 N N N4 N N N 0 0.999 -3.808 -1.196
18 C C C10 N N N 0 1.875 -2.823 -1.475
19 O O O5 N N N 0 2.035 -2.458 -2.623
20 C10 C C11 N N N 0 -10.7 2.605 0.981
21 C11 C C12 N Y N 0 2.644 -2.185 -0.382
22 C12 C C13 N Y N 0 3.546 -1.164 -0.671
23 C13 C C14 N Y N 0 4.268 -0.564 0.359
24 C14 C C15 N N N 0 5.224 0.518 0.061
25 C15 C C16 N Y N 0 6.672 0.279 0.08
26 C16 C C17 N Y N 0 7.175 -0.993 0.384
27 C20 C C21 N N N 0 4.779 1.816 -0.252
28 C17 C C18 N Y N 0 8.521 -1.206 0.4
29 C18 C C19 N Y N 0 7.554 1.338 -0.209
30 C19 C C20 N N N 0 5.768 2.854 -0.54
31 C21 C C22 N N N 0 3.4 2.113 -0.289
32 C22 C C23 N N N 0 2.988 3.365 -0.593
33 C23 C C24 N N N 0 3.97 4.409 -0.883
34 C24 C C25 N N N 0 4.544 6.684 -1.471
35 C25 C C26 N N N 0 2.13 5.944 -1.219
36 C26 C C27 N N N 0 5.349 4.115 -0.845
37 C27 C C28 N Y N 0 8.921 1.104 -0.189
38 C28 C C29 N Y N 0 9.403 -0.161 0.114
39 C29 C C30 N N N 0 11.704 0.701 -0.167
40 C30 C C31 N N N 0 11.289 -1.724 0.453
41 C34 C C35 N Y N 0 2.46 -2.606 0.937
42 C31 C C32 N Y N 0 4.081 -0.998 1.688
43 C32 C C33 N N N 0 4.842 -0.368 2.787
44 C33 C C34 N Y N 0 3.176 -2.02 1.962
45 F F F1 N N N 0 -11.831 3.265 1.474
46 F1 F F2 N N N 0 -9.813 3.54 0.439
47 O7 O O8 N N N 0 5.63 0.524 2.547
48 F2 F F3 N N N 0 -10.072 1.914 2.023
49 O2 O O6 N N N 0 -4.37 -4.222 -0.196
50 O6 O O7 N N N 0 4.661 -0.783 4.056
51 S S S1 N N N 0 -11.201 1.43 -0.308
52 H1 H H1 N N N 0 -9.46 0.867 -1.702
53 H7 H H7 N N N 0 -9.692 -0.781 0.657
54 H2 H H2 N N N 0 -6.672 -1.144 1.055
55 H3 H H3 N N N 0 -7.853 -2.461 0.855
56 H4 H H4 N N N 0 -7.304 -0.239 -1.166
57 H5 H H5 N N N 0 -8.485 -1.556 -1.366
58 H6 H H6 N N N 0 -8.511 0.536 0.857
59 H8 H H8 N N N 0 0.927 -4.894 -2.989
60 H9 H H9 N N N 0 -0.365 -3.686 -2.785
61 H10 H H10 N N N 0 -4.833 -2.824 1.252
62 H11 H H11 N N N 0 -6.014 -4.14 1.052
63 H12 H H12 N N N 0 -6.646 -3.236 -1.168
64 H13 H H13 N N N 0 -5.465 -1.919 -0.968
65 H14 H H14 N N N 0 -4.201 -5.781 1.15
66 H15 H H15 N N N 0 -3.02 -4.464 1.349
67 H16 H H16 N N N 0 -3.106 -6.367 -1.034
68 H17 H H17 N N N 0 -2.013 -6.542 0.36
69 H18 H H18 N N N 0 -0.085 -6.222 -1.112
70 H19 H H19 N N N 0 -1.178 -6.047 -2.506
71 H20 H H20 N N N 0 0.871 -4.099 -0.28
72 H21 H H21 N N N 0 3.685 -0.837 -1.691
73 H22 H H22 N N N 0 6.497 -1.804 0.606
74 H23 H H23 N N N 0 8.908 -2.187 0.635
75 H24 H H24 N N N 0 2.675 1.342 -0.076
76 H25 H H25 N N N 0 1.933 3.594 -0.622
77 H26 H H26 N N N 0 4.026 7.617 -1.692
78 H27 H H27 N N N 0 5.192 6.825 -0.606
79 H28 H H28 N N N 0 5.145 6.39 -2.332
80 H29 H H29 N N N 0 1.802 6.271 -0.232
81 H30 H H30 N N N 0 1.948 6.737 -1.944
82 H31 H H31 N N N 0 1.575 5.052 -1.509
83 H32 H H32 N N N 0 6.072 4.889 -1.059
84 H33 H H33 N N N 0 9.61 1.906 -0.41
85 H34 H H34 N N N 0 12.728 0.334 -0.103
86 H35 H H35 N N N 0 11.513 1.075 -1.173
87 H36 H H36 N N N 0 11.561 1.507 0.553
88 H39 H H39 N N N 0 12.236 -1.882 -0.064
89 H37 H H37 N N N 0 11.444 -1.805 1.529
90 H38 H H38 N N N 0 10.57 -2.478 0.132
91 H40 H H40 N N N 0 3.031 -2.353 2.978
92 H41 H H41 N N N 0 1.756 -3.395 1.156
93 H42 H H42 N N N 0 5.181 -0.341 4.741