Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PEF

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 121


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C2 C C2 R N N 0 -3.579 2.064 -0.906
2 C1 C C1 N N N 0 -4.463 0.84 -0.656
3 N N N N N N 0 -3.935 -4.087 3.615
4 C3 C C3 N N N 0 -3.215 2.712 0.431
5 C4 C C4 N N N 0 -4.92 -3.545 1.439
6 C5 C C5 N N N 0 -4.277 -4.637 2.297
7 C10 C C10 N N N 0 -2.328 1.633 -2.933
8 C11 C C11 N N N 0 -1.069 1.207 -3.644
9 C12 C C12 N N N 0 -1.291 1.272 -5.156
10 C13 C C13 N N N 0 -0.014 0.839 -5.878
11 C14 C C14 N N N 0 -0.236 0.904 -7.39
12 C15 C C15 N N N 0 1.041 0.472 -8.112
13 C16 C C16 N N N 0 0.819 0.536 -9.625
14 C17 C C17 N N N 0 2.097 0.104 -10.347
15 C18 C C18 N N N 0 1.875 0.169 -11.859
16 C19 C C19 N N N 0 3.153 -0.263 -12.581
17 C20 C C20 N N N 0 2.931 -0.198 -14.094
18 C21 C C21 N N N 0 4.209 -0.63 -14.816
19 C22 C C22 N N N 0 3.987 -0.566 -16.328
20 C23 C C23 N N N 0 5.265 -0.998 -17.05
21 C24 C C24 N N N 0 5.043 -0.933 -18.562
22 C25 C C25 N N N 0 6.32 -1.366 -19.284
23 C30 C C30 N N N 0 -2.073 2.104 2.477
24 C31 C C31 N N N 0 -1.326 1.111 3.329
25 C32 C C32 N N N 0 -0.962 1.758 4.667
26 C33 C C33 N N N 0 -0.204 0.749 5.532
27 C34 C C34 N N N 0 0.159 1.396 6.87
28 C35 C C35 N N N 0 0.917 0.388 7.735
29 C36 C C36 N N N 0 1.281 1.035 9.072
30 C37 C C37 N N N 0 2.039 0.026 9.937
31 C38 C C38 N N N 0 2.404 0.673 11.275
32 C39 C C39 N N N 0 3.162 -0.335 12.14
33 C40 C C40 N N N 0 3.526 0.312 13.478
34 C41 C C41 N N N 0 4.284 -0.696 14.343
35 C42 C C42 N N N 0 4.648 -0.049 15.681
36 C43 C C43 N N N 0 5.406 -1.058 16.546
37 C44 C C44 N N N 0 5.77 -0.41 17.883
38 C45 C C45 N N N 0 6.529 -1.419 18.749
39 O4 O O4 N N N 0 -3.303 1.955 -3.57
40 O5 O O5 N N N 0 -2.292 3.216 2.897
41 O2 O O2 N N N 0 -2.366 1.654 -1.591
42 O3 O O3 N N N 0 -2.496 1.754 1.252
43 O1P O O1P N N N 0 -5.972 -0.902 1.053
44 O2P O O2P N N N 0 -5.118 -1.998 -1.054
45 O3P O O3P N N N 0 -3.755 -0.101 0.151
46 O4P O O4P N N N 0 -4.001 -2.463 1.279
47 P P P S N N 0 -4.738 -1.356 0.372
48 H21 H 1H2 N N N 0 -4.119 2.783 -1.522
49 H11 H 1H1 N N N 0 -5.373 1.148 -0.142
50 H12 H 2H1 N N N 0 -4.722 0.379 -1.609
51 HN1 H 1HN N N N 0 -3.516 -4.838 4.143
52 HN2 H 2HN N N N 0 -3.211 -3.4 3.464
53 H31 H 1H3 N N N 0 -4.125 3.02 0.945
54 H32 H 2H3 N N N 0 -2.585 3.583 0.253
55 H41 H 1H4 N N N 0 -5.824 -3.185 1.928
56 H42 H 2H4 N N N 0 -5.173 -3.954 0.461
57 H51 H 1H5 N N N 0 -4.978 -5.463 2.419
58 H52 H 2H5 N N N 0 -3.372 -4.998 1.808
59 H112 H 2H11 N N N 0 -0.253 1.874 -3.367
60 H111 H 1H11 N N N 0 -0.818 0.186 -3.357
61 H122 H 2H12 N N N 0 -2.108 0.605 -5.432
62 H121 H 1H12 N N N 0 -1.543 2.292 -5.443
63 H132 H 2H13 N N N 0 0.802 1.506 -5.602
64 H131 H 1H13 N N N 0 0.237 -0.181 -5.591
65 H142 H 2H14 N N N 0 -1.052 0.237 -7.667
66 H141 H 1H14 N N N 0 -0.487 1.925 -7.677
67 H152 H 2H15 N N N 0 1.858 1.139 -7.836
68 H151 H 1H15 N N N 0 1.293 -0.548 -7.825
69 H162 H 2H16 N N N 0 0.003 -0.13 -9.901
70 H161 H 1H16 N N N 0 0.567 1.557 -9.912
71 H172 H 2H17 N N N 0 2.914 0.771 -10.071
72 H171 H 1H17 N N N 0 2.349 -0.916 -10.06
73 H182 H 2H18 N N N 0 1.058 -0.497 -12.135
74 H181 H 1H18 N N N 0 1.623 1.19 -12.146
75 H192 H 2H19 N N N 0 3.97 0.403 -12.305
76 H191 H 1H19 N N N 0 3.405 -1.284 -12.294
77 H202 H 2H20 N N N 0 2.114 -0.865 -14.37
78 H201 H 1H20 N N N 0 2.679 0.822 -14.381
79 H212 H 2H21 N N N 0 5.025 0.036 -14.539
80 H211 H 1H21 N N N 0 4.46 -1.651 -14.529
81 H222 H 2H22 N N N 0 3.17 -1.233 -16.604
82 H242 H 2H24 N N N 0 4.226 -1.6 -18.839
83 H221 H 1H22 N N N 0 3.735 0.454 -16.615
84 H232 H 2H23 N N N 0 6.081 -0.331 -16.774
85 H231 H 1H23 N N N 0 5.516 -2.019 -16.763
86 H241 H 1H24 N N N 0 4.791 0.087 -18.849
87 H252 H 2H25 N N N 0 6.162 -1.32 -20.362
88 H251 H 1H25 N N N 0 7.137 -0.699 -19.008
89 H253 H 3H25 N N N 0 6.572 -2.387 -18.997
90 H312 H 2H31 N N N 0 -0.416 0.803 2.815
91 H332 H 2H33 N N N 0 0.705 0.441 5.018
92 H311 H 1H31 N N N 0 -1.956 0.239 3.507
93 H322 H 2H32 N N N 0 -1.873 2.066 5.181
94 H321 H 1H32 N N N 0 -0.333 2.63 4.489
95 H331 H 1H33 N N N 0 -0.834 -0.122 5.71
96 H342 H 2H34 N N N 0 -0.75 1.704 7.384
97 H341 H 1H34 N N N 0 0.789 2.268 6.692
98 H352 H 2H35 N N N 0 1.828 0.08 7.22
99 H351 H 1H35 N N N 0 0.288 -0.483 7.912
100 H362 H 2H36 N N N 0 0.371 1.343 9.587
101 H361 H 1H36 N N N 0 1.911 1.907 8.895
102 H372 H 2H37 N N N 0 2.95 -0.281 9.423
103 H371 H 1H37 N N N 0 1.41 -0.845 10.115
104 H382 H 2H38 N N N 0 1.493 0.981 11.79
105 H381 H 1H38 N N N 0 3.033 1.545 11.098
106 H392 H 2H39 N N N 0 4.072 -0.643 11.626
107 H391 H 1H39 N N N 0 2.532 -1.206 12.318
108 H402 H 2H40 N N N 0 2.615 0.62 13.992
109 H401 H 1H40 N N N 0 4.155 1.184 13.3
110 H412 H 2H41 N N N 0 5.194 -1.004 13.829
111 H411 H 1H41 N N N 0 3.654 -1.568 14.521
112 H422 H 2H42 N N N 0 3.738 0.258 16.195
113 H421 H 1H42 N N N 0 5.278 0.822 15.503
114 H432 H 2H43 N N N 0 6.317 -1.366 16.031
115 H431 H 1H43 N N N 0 4.777 -1.93 16.723
116 H442 H 2H44 N N N 0 4.86 -0.102 18.398
117 H441 H 1H44 N N N 0 6.4 0.461 17.706
118 H452 H 2H45 N N N 0 6.788 -0.958 19.702
119 H451 H 1H45 N N N 0 5.899 -2.291 18.926
120 H453 H 3H45 N N N 0 7.439 -1.727 18.234
121 HOP2 H 2HOP N N N 0 -4.289 -2.28 -1.463