Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 8E2

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 109


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C29 C C1 N Y N 0 -2.166 -3.134 0.97
2 C30 C C2 N Y N 0 -0.879 -3.563 1.23
3 C31 C C3 N Y N 0 0.152 -3.228 0.364
4 C32 C C4 N Y N 0 -0.109 -2.464 -0.764
5 C34 C C5 N N N 0 2.431 -3.269 -0.313
6 C35 C C6 N N N 0 3.76 -3.823 0.132
7 C36 C C7 N Y N 0 -17.064 0.728 0.733
8 C15 C C8 N Y N 0 -10.098 1.302 0.136
9 C20 C C9 N Y N 0 -14.653 1.316 0.25
10 C22 C C10 N N N 0 -7.589 1.439 -0.039
11 C23 C C11 N N N 0 -7.15 0.445 -1.116
12 C19 C C12 N Y N 0 -10.611 3.106 -1.13
13 C18 C C13 N Y N 0 -11.573 -0.141 1.199
14 C17 C C14 N Y N 0 -12.526 1.64 -0.037
15 C25 C C15 N N N 0 -3.785 -1.156 -1.668
16 C1 C C16 N N N 0 12.854 0.87 2.463
17 C16 C C17 N Y N 0 -11.165 2.059 -0.372
18 C2 C C18 N N N 0 11.439 1.451 2.425
19 C21 C C19 N Y N 0 -16.115 1.51 0.153
20 C24 C C20 N N N 0 -5.237 -0.773 -1.966
21 C26 C C21 N N N 0 -4.277 -1.176 0.702
22 C27 C C22 N N N 0 -5.728 -0.794 0.404
23 C28 C C23 N Y N 0 -2.429 -2.373 -0.161
24 C3 C C24 N N N 0 9.548 1.758 0.985
25 C33 C C25 N Y N 0 -1.395 -2.035 -1.025
26 C37 C C26 N Y N 0 -18.313 1.275 0.379
27 C38 C C27 N Y N 0 -18.067 2.357 -0.386
28 C4 C C28 N N N 0 9.048 1.487 -0.436
29 C5 C C29 N N N 0 8.474 -0.287 -1.943
30 C6 C C30 N N N 0 8.394 -1.811 -2.049
31 C7 C C31 N N N 0 7.243 -3.719 -1.166
32 C8 C C32 N N N 0 6.159 -4.127 -0.166
33 C9 C C33 N N N 0 15.044 1.136 1.527
34 N1 N N1 N N N 0 4.868 -3.589 -0.599
35 N10 N N2 N N N 0 -3.733 -1.943 -0.428
36 N2 N N3 N Y N 0 -10.352 0.232 0.902
37 N3 N N4 N Y N 0 -12.674 0.53 0.753
38 N4 N N5 N N N 0 -11.75 -1.252 1.991
39 N5 N N6 N Y N 0 -8.955 1.889 -0.318
40 N6 N N7 N Y N 0 -9.311 2.997 -1.098
41 N7 N N8 N Y N 0 -13.728 2.093 -0.326
42 N8 N N9 N Y N 0 -14.053 0.349 0.919
43 N9 N N10 N N N 0 -5.78 -0.007 -0.836
44 O1 O O1 N N N 0 13.693 1.601 1.568
45 O2 O O2 N N N 0 10.875 1.248 1.128
46 O3 O O3 N N N 0 8.936 0.077 -0.641
47 O4 O O4 N N N 0 7.4 -2.299 -1.146
48 O7 O O5 N N N 0 1.419 -3.65 0.621
49 O8 O O6 N N N 0 3.833 -4.479 1.15
50 O9 O O7 N Y N 0 -16.739 2.492 -0.526
51 H1 H H1 N N N 0 -2.968 -3.395 1.644
52 H2 H H2 N N N 0 -0.675 -4.158 2.107
53 H3 H H3 N N N 0 0.695 -2.201 -1.435
54 H4 H H4 N N N 0 2.489 -2.182 -0.363
55 H12 H H12 N N N 0 -3.389 -1.75 -2.492
56 H13 H H13 N N N 0 -3.187 -0.252 -1.551
57 H14 H H14 N N N 0 13.25 0.944 3.476
58 H15 H H15 N N N 0 12.824 -0.177 2.161
59 H16 H H16 N N N 0 10.821 0.952 3.172
60 H17 H H17 N N N 0 11.479 2.519 2.641
61 H18 H H18 N N N 0 -5.275 -0.165 -2.869
62 H19 H H19 N N N 0 -5.829 -1.677 -2.11
63 H20 H H20 N N N 0 -3.684 -0.273 0.846
64 H21 H H21 N N N 0 -4.239 -1.784 1.606
65 H22 H H22 N N N 0 -6.326 -1.697 0.287
66 H23 H H23 N N N 0 -6.124 -0.2 1.229
67 H24 H H24 N N N 0 9.549 2.832 1.171
68 H25 H H25 N N N 0 8.891 1.265 1.701
69 H26 H H26 N N N 0 -1.598 -1.439 -1.903
70 H27 H H27 N N N 0 -19.283 0.9 0.668
71 H28 H H28 N N N 0 -18.815 3.003 -0.821
72 H29 H H29 N N N 0 8.072 1.952 -0.572
73 H30 H H30 N N N 0 9.753 1.903 -1.155
74 H31 H H31 N N N 0 9.168 0.093 -2.693
75 H32 H H32 N N N 0 7.486 0.142 -2.111
76 H33 H H33 N N N 0 8.127 -2.091 -3.068
77 H34 H H34 N N N 0 9.361 -2.244 -1.794
78 H35 H H35 N N N 0 8.186 -4.193 -0.892
79 H36 H H36 N N N 0 6.953 -4.039 -2.167
80 H37 H H37 N N N 0 6.102 -5.214 -0.116
81 H38 H H38 N N N 0 6.406 -3.731 0.819
82 H39 H H39 N N N 0 15.486 1.216 2.521
83 H40 H H40 N N N 0 15.06 0.095 1.205
84 H42 H H42 N N N 0 4.809 -3.064 -1.413
85 H43 H H43 N N N 0 -12.646 -1.545 2.222
86 H44 H H44 N N N 0 -10.98 -1.743 2.318
87 C10 C C34 N N N 0 15.835 1.975 0.557
88 O5 O O8 N N N 0 15.297 2.878 -0.039
89 O6 O O9 N N N 0 17.137 1.718 0.354
90 C11 C C36 N N N 0 17.836 2.566 -0.595
91 C13 C C37 N N N 0 17.772 4.02 -0.123
92 C14 C C38 N N N 0 19.298 2.126 -0.692
93 C12 C C39 N N N 0 17.174 2.446 -1.969
94 H5 H H5 N N N 0 2.185 -3.666 -1.298
95 H6 H H6 N N N 0 -16.893 -0.147 1.343
96 H7 H H7 N N N 0 -7.559 0.955 0.937
97 H8 H H8 N N N 0 -6.917 2.297 -0.04
98 H9 H H9 N N N 0 -7.822 -0.413 -1.115
99 H10 H H10 N N N 0 -7.18 0.929 -2.092
100 H11 H H11 N N N 0 -11.167 3.868 -1.655
101 H41 H H41 N N N 0 18.243 4.106 0.856
102 H45 H H45 N N N 0 18.296 4.657 -0.836
103 H46 H H46 N N N 0 16.73 4.334 -0.054
104 H47 H H47 N N N 0 19.343 1.09 -1.028
105 H48 H H48 N N N 0 19.822 2.762 -1.405
106 H49 H H49 N N N 0 19.769 2.211 0.287
107 H50 H H50 N N N 0 16.133 2.76 -1.9
108 H51 H H51 N N N 0 17.699 3.083 -2.682
109 H52 H H52 N N N 0 17.22 1.41 -2.306