Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : PCF

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 130


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N N N N N N 1 10.949 -5.813 -7.603
2 P P P N N N 0 7.629 -1.963 -7.599
3 O11 O O11 N N N 0 6.515 -3.146 -7.424
4 O12 O O12 N N N 0 7.319 -0.838 -6.635
5 O13 O O13 N N N 0 8.963 -2.745 -7.061
6 O14 O O14 N N N -1 7.784 -1.68 -9.079
7 C11 C C11 N N N 0 9.309 -3.997 -7.631
8 C12 C C12 N N N 0 10.572 -4.521 -6.976
9 C13 C C13 N N N 0 9.844 -6.859 -7.403
10 C14 C C14 N N N 0 11.175 -5.64 -9.111
11 C15 C C15 N N N 0 12.243 -6.36 -6.986
12 C1 C C1 N N N 0 6.187 -3.597 -6.114
13 C2 C C2 R N N 0 5.133 -4.695 -6.195
14 C3 C C3 N N N 0 5.629 -5.886 -7.005
15 O31 O O31 N N N 0 4.613 -6.892 -7.023
16 O32 O O32 N N N 0 5.963 -8.25 -8.311
17 C31 C C31 N N N 0 4.917 -8.027 -7.716
18 C32 C C32 N N N 0 3.758 -8.993 -7.652
19 C33 C C33 N N N 0 4.024 -10.273 -8.442
20 C34 C C34 N N N 0 2.905 -11.321 -8.385
21 C35 C C35 N N N 0 3.175 -12.559 -9.242
22 C36 C C36 N N N 0 2.015 -13.553 -9.156
23 C37 C C37 N N N 0 2.191 -14.78 -10.058
24 C38 C C38 N N N 0 1.032 -15.783 -10.057
25 C39 C C39 N N N 0 1.248 -16.971 -10.996
26 C40 C C40 N N N 0 0.044 -17.917 -10.981
27 C41 C C41 N N N 0 0.247 -19.086 -11.948
28 C42 C C42 N N N 0 -0.944 -20.046 -11.913
29 C43 C C43 N N N 0 -0.781 -21.255 -12.84
30 O21 O O21 N N N 0 4.844 -5.152 -4.871
31 O22 O O22 N N N 0 4.16 -3.031 -4.274
32 C21 C C21 N N N 0 4.361 -4.209 -4.011
33 C22 C C22 N N N 0 4.106 -4.83 -2.659
34 C23 C C23 N N N 0 3.597 -3.813 -1.639
35 C24 C C24 N N N 0 3.273 -4.383 -0.252
36 C25 C C25 N N N 0 2.832 -3.325 0.762
37 C26 C C26 N N N 0 2.545 -3.955 2.126
38 C27 C C27 N N N 0 2.175 -2.934 3.207
39 C28 C C28 N N N 0 1.933 -3.502 4.61
40 C29 C C29 N N N 0 1.597 -2.437 5.655
41 C30 C C30 N N N 0 1.403 -3.058 7.04
42 C47 C C47 N N N 0 1.103 -1.987 8.091
43 C48 C C48 N N N 0 0.882 -2.61 9.471
44 C49 C C49 N N N 0 0.546 -1.584 10.558
45 C50 C C50 N N N 0 0.401 -2.2 11.951
46 C51 C C51 N N N 0 0.063 -1.173 13.035
47 C52 C C52 N N N 0 -0.053 -1.772 14.428
48 C44 C C44 N N N 0 -2.006 -22.173 -12.862
49 C45 C C45 N N N 0 -1.839 -23.382 -13.788
50 C46 C C46 N N N 0 -3.063 -24.284 -13.839
51 H111 H 1H11 N N N 0 9.482 -3.844 -8.701
52 H112 H 2H11 N N N 0 8.471 -4.689 -7.505
53 H132 H 2H13 N N N 0 8.9 -6.412 -7.717
54 H121 H 1H12 N N N 0 10.429 -4.725 -5.911
55 H122 H 2H12 N N N 0 11.416 -3.842 -7.124
56 H131 H 1H13 N N N 0 9.821 -7.121 -6.344
57 H133 H 3H13 N N N 0 10.091 -7.727 -8.017
58 H141 H 1H14 N N N 0 10.362 -6.149 -9.632
59 H142 H 2H14 N N N 0 11.173 -4.57 -9.329
60 H143 H 3H14 N N N 0 12.14 -6.088 -9.358
61 H151 H 1H15 N N N 0 13.083 -5.871 -7.482
62 H152 H 2H15 N N N 0 12.228 -6.129 -5.919
63 H153 H 3H15 N N N 0 12.263 -7.439 -7.154
64 H11 H 1H1 N N N 0 7.105 -3.955 -5.639
65 H12 H 2H1 N N N 0 5.814 -2.733 -5.556
66 H21 H 1H2 N N N 0 4.193 -4.313 -6.608
67 H31 H 1H3 N N N 0 6.528 -6.323 -6.557
68 H32 H 2H3 N N N 0 5.839 -5.598 -8.04
69 H321 H 1H32 N N N 0 3.586 -9.23 -6.596
70 H322 H 2H32 N N N 0 2.843 -8.509 -8.012
71 H331 H 1H33 N N N 0 4.198 -10.018 -9.495
72 H332 H 2H33 N N N 0 4.954 -10.723 -8.074
73 H341 H 1H34 N N N 0 2.741 -11.626 -7.344
74 H342 H 2H34 N N N 0 1.973 -10.847 -8.718
75 H351 H 1H35 N N N 0 4.094 -13.042 -8.898
76 H352 H 2H35 N N N 0 3.331 -12.262 -10.286
77 H372 H 2H37 N N N 0 2.355 -14.43 -11.085
78 H361 H 1H36 N N N 0 1.875 -13.875 -8.118
79 H362 H 2H36 N N N 0 1.086 -13.045 -9.445
80 H371 H 1H37 N N N 0 3.106 -15.308 -9.763
81 H381 H 1H38 N N N 0 0.904 -16.153 -9.032
82 H382 H 2H38 N N N 0 0.097 -15.271 -10.314
83 H391 H 1H39 N N N 0 2.151 -17.517 -10.697
84 H392 H 2H39 N N N 0 1.405 -16.619 -12.022
85 H401 H 1H40 N N N 0 -0.859 -17.362 -11.26
86 H402 H 2H40 N N N 0 -0.111 -18.301 -9.966
87 H411 H 1H41 N N N 0 0.379 -18.702 -12.966
88 H412 H 2H41 N N N 0 1.167 -19.616 -11.678
89 H421 H 1H42 N N N 0 -1.114 -20.39 -10.885
90 H422 H 2H42 N N N 0 -1.848 -19.504 -12.218
91 H431 H 1H43 N N N 0 -0.592 -20.874 -13.85
92 H432 H 2H43 N N N 0 0.107 -21.827 -12.546
93 H221 H 1H22 N N N 0 3.368 -5.628 -2.797
94 H222 H 2H22 N N N 0 5.016 -5.314 -2.288
95 H231 H 1H23 N N N 0 4.345 -3.02 -1.516
96 H232 H 2H23 N N N 0 2.699 -3.331 -2.046
97 H241 H 1H24 N N N 0 2.494 -5.149 -0.343
98 H242 H 2H24 N N N 0 4.167 -4.895 0.125
99 H251 H 1H25 N N N 0 1.931 -2.827 0.394
100 H252 H 2H25 N N N 0 3.611 -2.56 0.864
101 H261 H 1H26 N N N 0 1.746 -4.7 2.033
102 H262 H 2H26 N N N 0 3.434 -4.504 2.462
103 H271 H 1H27 N N N 0 1.274 -2.394 2.892
104 H272 H 2H27 N N N 0 2.977 -2.187 3.263
105 H281 H 1H28 N N N 0 1.104 -4.219 4.548
106 H282 H 2H28 N N N 0 2.808 -4.078 4.934
107 H291 H 1H29 N N N 0 0.686 -1.904 5.358
108 H292 H 2H29 N N N 0 2.403 -1.696 5.712
109 H301 H 1H30 N N N 0 2.31 -3.607 7.324
110 H302 H 2H30 N N N 0 0.581 -3.783 7.008
111 H471 H 1H47 N N N 0 1.936 -1.275 8.139
112 H472 H 2H47 N N N 0 0.214 -1.425 7.783
113 H481 H 1H48 N N N 0 0.086 -3.363 9.415
114 H482 H 2H48 N N N 0 1.795 -3.138 9.773
115 H491 H 1H49 N N N 0 1.349 -0.839 10.569
116 H492 H 2H49 N N N 0 -0.375 -1.052 10.289
117 H501 H 1H50 N N N 0 -0.401 -2.947 11.941
118 H502 H 2H50 N N N 0 1.324 -2.729 12.221
119 H511 H 1H51 N N N 0 -0.895 -0.704 12.779
120 H512 H 2H51 N N N 0 0.814 -0.375 13.041
121 H521 H 1H52 N N N 0 -0.77 -2.598 14.443
122 H522 H 2H52 N N N 0 -0.398 -1.011 15.136
123 H523 H 3H52 N N N 0 0.911 -2.143 14.788
124 H441 H 1H44 N N N 0 -2.197 -22.554 -11.853
125 H442 H 2H44 N N N 0 -2.893 -21.602 -13.16
126 H451 H 1H45 N N N 0 -0.987 -23.974 -13.433
127 H452 H 2H45 N N N 0 -1.591 -23.045 -14.801
128 H463 H 3H46 N N N 0 -3.914 -23.781 -14.306
129 H461 H 1H46 N N N 0 -3.357 -24.605 -12.835
130 H462 H 2H46 N N N 0 -2.844 -25.179 -14.43