Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PEE

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 129


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C27 C C1 N N N 0 16.704 -8.957 0.281
2 C26 C C2 N N N 0 15.687 -7.908 0.735
3 C25 C C3 N N N 0 15.882 -6.624 -0.075
4 C24 C C4 N N N 0 14.865 -5.575 0.38
5 C23 C C5 N N N 0 15.06 -4.292 -0.43
6 C22 C C6 N N N 0 14.043 -3.243 0.025
7 C21 C C7 N N N 0 14.238 -1.96 -0.785
8 C20 C C8 N N N 0 13.221 -0.911 -0.331
9 C19 C C9 N N N 0 13.412 0.353 -1.129
10 C18 C C10 N N N 0 12.393 0.902 -1.742
11 C17 C C11 N N N 0 11.002 0.37 -1.514
12 C16 C C12 N N N 0 10.082 1.515 -1.087
13 C15 C C13 N N N 0 8.669 0.975 -0.855
14 C14 C C14 N N N 0 7.749 2.121 -0.428
15 C13 C C15 N N N 0 6.336 1.581 -0.196
16 C12 C C16 N N N 0 5.416 2.726 0.231
17 C11 C C17 N N N 0 4.003 2.186 0.463
18 C10 C C18 N N N 0 3.097 3.314 0.884
19 O4 O O1 N N N 0 3.536 4.435 0.988
20 O2 O O2 N N N 0 1.802 3.074 1.143
21 C2 C C19 R N N 0 0.988 4.208 1.543
22 C1 C C20 N N N 0 0.379 4.861 0.302
23 O3P O O3 N N N 0 -0.526 3.948 -0.322
24 P P P1 N N N 0 -1.35 4.305 -1.658
25 O2P O O4 N N N 0 -2.383 5.501 -1.349
26 O1P O O5 N N N 0 -0.41 4.727 -2.72
27 O4P O O6 N N N 0 -2.166 3.006 -2.149
28 C4 C C21 N N N 0 -2.912 2.97 -3.366
29 C5 C C22 N N N 0 -3.56 1.594 -3.527
30 N N N1 N N N 0 -4.548 1.39 -2.459
31 C3 C C23 N N N 0 -0.131 3.73 2.47
32 O3 O O7 N N N 0 -1.027 2.855 1.736
33 C30 C C24 N N N 0 -2.07 2.346 2.41
34 O5 O O8 N N N 0 -2.23 2.623 3.575
35 C31 C C25 N N N 0 -3.043 1.429 1.714
36 C32 C C26 N N N 0 -4.129 0.995 2.699
37 C33 C C27 N N N 0 -5.117 0.064 1.992
38 C34 C C28 N N N 0 -6.203 -0.37 2.978
39 C35 C C29 N N N 0 -7.191 -1.301 2.271
40 C36 C C30 N N N 0 -8.277 -1.736 3.257
41 C37 C C31 N N N 0 -9.265 -2.666 2.55
42 C38 C C32 N N N 0 -10.335 -3.094 3.521
43 C39 C C33 N N N 0 -11.599 -2.948 3.209
44 C40 C C34 N N N 0 -11.986 -2.513 1.819
45 C41 C C35 N N N 0 -12.988 -3.51 1.233
46 C42 C C36 N N N 0 -13.382 -3.069 -0.178
47 C43 C C37 N N N 0 -14.384 -4.066 -0.763
48 C44 C C38 N N N 0 -14.777 -3.624 -2.174
49 C45 C C39 N N N 0 -15.779 -4.621 -2.76
50 C46 C C40 N N N 0 -16.173 -4.179 -4.171
51 C47 C C41 N N N 0 -17.175 -5.176 -4.757
52 H7 H H1 N N N 0 16.566 -9.871 0.858
53 H8 H H2 N N N 0 16.558 -9.17 -0.778
54 H82 H H3 N N N 0 17.713 -8.577 0.439
55 H5 H H4 N N N 0 14.678 -8.288 0.577
56 H6 H H5 N N N 0 15.834 -7.695 1.794
57 H12 H H6 N N N 0 16.891 -6.245 0.084
58 H4 H H7 N N N 0 15.736 -6.837 -1.133
59 H10 H H8 N N N 0 13.856 -5.955 0.222
60 H11 H H9 N N N 0 15.012 -5.363 1.439
61 H83 H H10 N N N 0 16.069 -3.912 -0.272
62 H9 H H11 N N N 0 14.913 -4.505 -1.489
63 H2 H H12 N N N 0 13.034 -3.623 -0.133
64 H3 H H13 N N N 0 14.189 -3.03 1.084
65 H14 H H14 N N N 0 15.247 -1.58 -0.627
66 H1 H H15 N N N 0 14.091 -2.173 -1.844
67 H16 H H16 N N N 0 12.211 -1.291 -0.489
68 H13 H H17 N N N 0 13.367 -0.698 0.728
69 H18 H H18 N N N 0 14.39 0.807 -1.195
70 H20 H H19 N N N 0 12.55 1.735 -2.411
71 H22 H H20 N N N 0 10.626 -0.073 -2.437
72 H19 H H21 N N N 0 11.026 -0.388 -0.731
73 H21 H H22 N N N 0 10.457 1.958 -0.164
74 H28 H H23 N N N 0 10.057 2.273 -1.869
75 H23 H H24 N N N 0 8.293 0.533 -1.778
76 H24 H H25 N N N 0 8.693 0.217 -0.072
77 H25 H H26 N N N 0 8.124 2.563 0.495
78 H26 H H27 N N N 0 7.724 2.879 -1.211
79 H17 H H28 N N N 0 5.96 1.138 -1.119
80 H27 H H29 N N N 0 6.36 0.823 0.587
81 H15 H H30 N N N 0 5.791 3.168 1.154
82 H29 H H31 N N N 0 5.391 3.484 -0.552
83 H30 H H32 N N N 0 3.628 1.743 -0.46
84 H31 H H33 N N N 0 4.028 1.428 1.246
85 H32 H H34 N N N 0 1.61 4.933 2.068
86 H33 H H35 N N N 0 -0.159 5.764 0.594
87 H34 H H36 N N N 0 1.172 5.122 -0.398
88 H35 H H37 N N N 0 -3.03 5.294 -0.661
89 H36 H H38 N N N 0 -3.688 3.736 -3.34
90 H37 H H39 N N N 0 -2.245 3.158 -4.208
91 H38 H H40 N N N 0 -4.056 1.536 -4.496
92 H39 H H41 N N N 0 -2.793 0.822 -3.464
93 H40 H H42 N N N 0 -4.99 0.487 -2.543
94 H41 H H43 N N N 0 -4.126 1.502 -1.55
95 H43 H H45 N N N 0 0.3 3.186 3.311
96 H44 H H46 N N N 0 -0.688 4.59 2.842
97 H45 H H47 N N N 0 -3.502 1.955 0.876
98 H46 H H48 N N N 0 -2.514 0.551 1.345
99 H47 H H49 N N N 0 -3.671 0.469 3.537
100 H48 H H50 N N N 0 -4.659 1.874 3.068
101 H49 H H51 N N N 0 -5.576 0.59 1.155
102 H50 H H52 N N N 0 -4.588 -0.815 1.624
103 H51 H H53 N N N 0 -5.745 -0.896 3.816
104 H52 H H54 N N N 0 -6.732 0.508 3.346
105 H53 H H55 N N N 0 -7.649 -0.775 1.434
106 H54 H H56 N N N 0 -6.662 -2.18 1.903
107 H55 H H57 N N N 0 -7.819 -2.261 4.094
108 H56 H H58 N N N 0 -8.806 -0.857 3.625
109 H57 H H59 N N N 0 -9.723 -2.141 1.712
110 H58 H H60 N N N 0 -8.736 -3.545 2.181
111 H59 H H61 N N N 0 -10.06 -3.522 4.474
112 H60 H H62 N N N 0 -12.363 -3.14 3.947
113 H81 H H63 N N N 0 -12.441 -1.524 1.862
114 H61 H H64 N N N 0 -11.098 -2.478 1.188
115 H80 H H65 N N N 0 -12.533 -4.5 1.19
116 H62 H H66 N N N 0 -13.877 -3.546 1.864
117 H63 H H67 N N N 0 -13.837 -2.079 -0.135
118 H64 H H68 N N N 0 -12.493 -3.033 -0.808
119 H65 H H69 N N N 0 -13.929 -5.055 -0.806
120 H66 H H70 N N N 0 -15.272 -4.101 -0.133
121 H67 H H71 N N N 0 -15.232 -2.634 -2.132
122 H68 H H72 N N N 0 -13.889 -3.589 -2.805
123 H69 H H73 N N N 0 -15.324 -5.611 -2.803
124 H70 H H74 N N N 0 -16.667 -4.656 -2.129
125 H71 H H75 N N N 0 -16.628 -3.19 -4.128
126 H72 H H76 N N N 0 -15.285 -4.144 -4.802
127 H73 H H77 N N N 0 -17.455 -4.861 -5.762
128 H74 H H78 N N N 0 -16.72 -6.166 -4.8
129 H75 H H79 N N N 0 -18.063 -5.212 -4.126