Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 4FR

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 79


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C31 C C31 N Y N 0 9.901 1.649 -1.902
2 C30 C C30 N Y N 0 9.474 2.191 -0.702
3 C28 C C28 N Y N 0 7.6 0.69 -0.676
4 C26 C C26 N N N 0 1.788 4.717 2.164
5 C23 C C23 N Y N 0 5.32 1.047 0.262
6 C22 C C22 N Y N 0 6.372 0.179 -0.021
7 C13 C C13 N Y N 0 -0.327 2.224 1.501
8 C17 C C17 N Y N 0 2.066 3.298 1.741
9 C20 C C20 N Y N 0 5.122 -1.645 0.922
10 C12 C C12 N Y N 0 1.067 2.27 1.471
11 C11 C C11 N Y N 0 1.785 1.108 1.109
12 C10 C C10 N Y N 0 1.066 -0.041 0.795
13 C9 C C9 N Y N 0 -0.317 0.001 0.85
14 O40 O O40 N N N 0 -7.348 -1.833 0.336
15 C41 C C41 N N N 0 -6.666 -0.858 0.087
16 N42 N N42 N N N 0 -7.252 0.294 -0.298
17 C43 C C43 N N N 0 -8.71 0.37 -0.415
18 C45 C C45 N N N 0 -9.162 1.823 -0.243
19 C46 C C46 N N N 0 -10.679 1.905 -0.427
20 N47 N N47 N N N 0 -11.038 1.417 -1.765
21 C48 C C48 N N N 0 -12.47 1.61 -2.029
22 C49 C C49 N N N 0 -10.657 0.01 -1.937
23 C44 C C44 N N N 0 -9.139 -0.129 -1.798
24 C50 C C50 N Y N 0 -5.198 -0.934 0.205
25 C55 C C55 N Y N 0 -4.413 0.186 -0.08
26 C56 C C56 N Y N 0 -3.042 0.113 0.03
27 C57 C C57 N Y N 0 -2.436 -1.073 0.427
28 C52 C C52 N Y N 0 -3.215 -2.196 0.714
29 O53 O O53 N N N 0 -2.62 -3.355 1.102
30 C54 C C54 N N N 0 -3.478 -4.464 1.38
31 C51 C C51 N Y N 0 -4.589 -2.127 0.609
32 N8 N N8 N N N 0 -1.048 -1.142 0.539
33 N14 N N14 N Y N 0 -0.961 1.112 1.196
34 N16 N N16 N Y N 0 3.242 2.772 1.544
35 N15 N N15 N Y N 0 3.113 1.432 1.162
36 C18 C C18 N Y N 0 4.174 0.563 0.875
37 C19 C C19 N Y N 0 4.077 -0.783 1.204
38 CL CL CL N N N 0 4.994 -3.326 1.335
39 C21 C C21 N Y N 0 6.267 -1.171 0.312
40 C33 C C33 N Y N 0 8.033 0.139 -1.895
41 C34 C C34 N N N 0 7.267 -0.951 -2.532
42 O35 O O35 N N N 0 6.194 -1.29 -2.071
43 N36 N N36 N N N 0 7.757 -1.572 -3.623
44 C29 C C29 N Y N 0 8.331 1.718 -0.089
45 C32 C C32 N Y N 0 9.19 0.629 -2.5
46 H31 H H31 N N N 0 10.794 2.029 -2.375
47 H30 H H30 N N N 0 10.038 2.989 -0.243
48 H26 H H26 N N N 0 1.752 4.771 3.252
49 H26A H H26A N N N 0 2.581 5.368 1.794
50 H26B H H26B N N N 0 0.832 5.038 1.752
51 H23 H H23 N N N 0 5.398 2.094 0.01
52 H13 H H13 N N N 0 -0.889 3.104 1.776
53 H10 H H10 N N N 0 1.577 -0.95 0.512
54 HN42 H HN42 N N N 0 -6.708 1.072 -0.496
55 H43 H H43 N N N 0 -9.171 -0.248 0.355
56 H45 H H45 N N N 0 -8.898 2.171 0.756
57 H45A H H45A N N N 0 -8.671 2.448 -0.989
58 H46 H H46 N N N 0 -11.171 1.291 0.327
59 H46A H H46A N N N 0 -11.002 2.941 -0.32
60 H48 H H48 N N N 0 -12.711 2.672 -1.968
61 H48A H H48A N N N 0 -12.709 1.241 -3.026
62 H48B H H48B N N N 0 -13.054 1.062 -1.289
63 H49 H H49 N N N 0 -11.148 -0.595 -1.175
64 H49A H H49A N N N 0 -10.963 -0.331 -2.926
65 H44 H H44 N N N 0 -8.647 0.465 -2.568
66 H44A H H44A N N N 0 -8.858 -1.176 -1.91
67 H55 H H55 N N N 0 -4.882 1.109 -0.389
68 H56 H H56 N N N 0 -2.437 0.98 -0.192
69 H54 H H54 N N N 0 -4.161 -4.201 2.187
70 H54A H H54A N N N 0 -4.05 -4.713 0.486
71 H54B H H54B N N N 0 -2.877 -5.323 1.678
72 H51 H H51 N N N 0 -5.193 -2.993 0.835
73 HN8 H HN8 N N N 0 -0.592 -1.986 0.399
74 H19 H H19 N N N 0 3.183 -1.158 1.681
75 H21 H H21 N N N 0 7.082 -1.846 0.093
76 HN36 H HN36 N N N 0 8.613 -1.302 -3.991
77 HN3A H HN3A N N N 0 7.254 -2.288 -4.041
78 H29 H H29 N N N 0 8.004 2.146 0.848
79 H32 H H32 N N N 0 9.529 0.211 -3.437