Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 0I7

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 98


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C13 C C1 N Y N 0 8.447 -1.468 -0.723
2 C15 C C2 N Y N 0 6.292 -0.986 0.272
3 C20 C C3 N N N 0 4.955 -1.474 0.659
4 C21 C C4 N N N 0 5.738 1.299 1.157
5 C22 C C5 N N N 0 7.666 -4.15 -1.194
6 C26 C C6 N N N 0 2.355 -3.078 -0.386
7 C28 C C7 N Y N 0 -0.126 -2.895 -0.051
8 B51 B B1 N N N 0 -8.544 2.651 -0.498
9 C1 C C8 N N N 0 10.092 4.257 -1.722
10 C2 C C9 N N N 0 10.266 5.402 -0.773
11 C3 C C10 N N N 0 9.722 5.046 0.613
12 C4 C C11 N N N 0 10.217 3.655 0.961
13 C5 C C12 S N N 0 9.806 2.533 0.033
14 C6 C C13 N N N 0 9.898 3.017 -1.387
15 C7 C C14 N N N 0 8.387 2.123 0.333
16 C8 C C15 N Y N 0 7.959 0.736 0.106
17 C12 C C16 N Y N 0 8.832 -0.176 -0.505
18 C14 C C17 N Y N 0 7.179 -1.891 -0.343
19 C16 C C18 N Y N 0 6.682 0.326 0.499
20 C18 C C19 N N N 0 5.53 -3.587 -0.184
21 C25 C C20 N N N 0 3.327 -3.277 0.779
22 C29 C C21 N Y N 0 -1.091 -3.746 0.369
23 C32 C C22 N N N 0 -2.562 -3.449 0.499
24 C34 C C23 N Y N 0 -4.099 -1.666 0.163
25 C35 C C24 N Y N 0 -5.101 -2.523 0.596
26 C36 C C25 N Y N 0 -6.407 -2.079 0.66
27 C37 C C26 N Y N 0 -6.718 -0.783 0.293
28 C38 C C27 N Y N 0 -5.721 0.073 -0.139
29 C39 C C28 N Y N 0 -4.413 -0.366 -0.204
30 C40 C C29 N N N 0 -8.144 -0.302 0.363
31 C41 C C30 N Y N 0 -8.595 0.147 -1.006
32 C42 C C31 N Y N 0 -8.238 0.87 1.308
33 C44 C C32 N Y N 0 -9.182 1.469 -2.686
34 C45 C C33 N Y N 0 -9.265 0.195 -3.123
35 C46 C C34 N Y N 0 -8.89 -0.644 -2.054
36 C47 C C35 N Y N 0 -8.166 0.826 2.651
37 C48 C C36 N Y N 0 -8.301 2.146 3.125
38 C49 C C37 N Y N 0 -8.451 2.948 2.05
39 C54 C C38 N N N 0 -9.491 2.702 -3.495
40 C55 C C39 N N N 0 -8.833 -2.15 -2.079
41 C56 C C40 N N N 0 -8.629 4.444 2.082
42 C57 C C41 N N N 0 -7.976 -0.409 3.494
43 F52 F F1 N N N 0 -9.607 3.508 -0.602
44 F53 F F2 N N N 0 -7.394 3.295 -0.874
45 N17 N N1 N N N 0 6.76 -3.192 -0.556
46 N19 N N2 N N N 0 4.648 -2.765 0.405
47 N27 N N3 N Y N 0 1.034 -3.59 -0.012
48 N30 N N4 N Y N 0 -0.481 -4.904 0.645
49 N31 N N5 N Y N 0 0.777 -4.779 0.409
50 N43 N N6 N Y N 0 -8.772 1.448 -1.388
51 N50 N N7 N Y N 0 -8.414 2.172 0.932
52 O9 O O1 N N N 0 7.598 2.939 0.763
53 O10 O O2 N N N 0 9.781 2.101 -2.381
54 O11 O O3 N N N 0 10.906 3.453 1.932
55 O23 O O4 N N N 0 5.203 -4.739 -0.391
56 O24 O O5 N N N 0 4.151 -0.735 1.193
57 O33 O O6 N N N 0 -2.812 -2.098 0.105
58 H1 H H1 N N N 0 9.128 -2.161 -1.194
59 H2 H H2 N N N 0 5.228 1.885 0.391
60 H3 H H3 N N N 0 5.002 0.751 1.744
61 H4 H H4 N N N 0 6.3 1.966 1.81
62 H5 H H5 N N N 0 8.256 -4.656 -0.431
63 H6 H H6 N N N 0 7.084 -4.885 -1.751
64 H7 H H7 N N N 0 8.331 -3.621 -1.877
65 H8 H H8 N N N 0 2.28 -2.016 -0.619
66 H9 H H9 N N N 0 2.719 -3.618 -1.26
67 H10 H H10 N N N 0 -0.257 -1.868 -0.359
68 H11 H H11 N N N 0 10.127 4.483 -2.778
69 H12 H H12 N N N 0 11.326 5.642 -0.691
70 H13 H H13 N N N 0 9.731 6.271 -1.156
71 H14 H H14 N N N 0 10.087 5.763 1.349
72 H15 H H15 N N N 0 8.632 5.058 0.596
73 H16 H H16 N N N 0 10.47 1.68 0.174
74 H17 H H17 N N N 0 9.818 0.147 -0.807
75 H18 H H18 N N N 0 2.962 -2.738 1.653
76 H19 H H19 N N N 0 3.402 -4.339 1.012
77 H20 H H20 N N N 0 -3.128 -4.125 -0.143
78 H21 H H21 N N N 0 -2.871 -3.588 1.535
79 H22 H H22 N N N 0 -4.859 -3.536 0.883
80 H23 H H23 N N N 0 -7.187 -2.746 0.997
81 H24 H H24 N N N 0 -5.966 1.085 -0.426
82 H25 H H25 N N N 0 -3.635 0.303 -0.541
83 H26 H H26 N N N 0 -8.786 -1.11 0.715
84 H27 H H27 N N N 0 -9.563 -0.123 -4.111
85 H28 H H28 N N N 0 -8.288 2.459 4.159
86 H29 H H29 N N N 0 -8.587 3.042 -3.999
87 H30 H H30 N N N 0 -10.255 2.467 -4.237
88 H31 H H31 N N N 0 -9.857 3.488 -2.834
89 H32 H H32 N N N 0 -7.84 -2.47 -2.395
90 H33 H H33 N N N 0 -9.04 -2.538 -1.082
91 H34 H H34 N N N 0 -9.577 -2.53 -2.779
92 H35 H H35 N N N 0 -7.653 4.927 2.039
93 H36 H H36 N N N 0 -9.227 4.757 1.226
94 H37 H H37 N N N 0 -9.136 4.73 3.004
95 H38 H H38 N N N 0 -6.911 -0.585 3.647
96 H39 H H39 N N N 0 -8.462 -0.269 4.459
97 H40 H H40 N N N 0 -8.416 -1.267 2.986
98 H41 H H41 N N N 0 9.857 2.473 -3.27