Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : CPQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 135


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -1.78 2.236 9.975
2 C2 C C2 S N N 0 -0.903 1.067 9.52
3 C3 C C3 N N N 0 -1.619 1.507 7.163
4 C4 C C4 S N N 0 -2.123 0.898 5.844
5 C5 C C5 R N N 0 -1.205 -0.24 5.45
6 C6 C C6 S N N 0 -1.254 -1.322 6.564
7 C7 C C7 N N N 0 -0.49 -2.478 5.909
8 C8 C C8 N N N 0 -1.023 -2.464 4.45
9 C9 C C9 R N N 0 -1.534 -1.026 4.185
10 C10 C C10 N N N 0 0.239 0.258 5.39
11 C11 C C11 N N N 0 0.503 1.577 9.205
12 C12 C C12 N N N 0 -3.189 1.726 10.286
13 C13 C C13 R N N 0 -3.118 0.678 11.399
14 C14 C C14 N N N 0 -2.24 -0.489 10.944
15 C15 C C15 R N N 0 -0.832 0.02 10.634
16 C16 C C16 N N N 0 0.044 -1.148 10.18
17 C17 C C17 N N N 0 -0.553 -1.779 8.921
18 C18 C C18 R N N 0 -0.62 -0.731 7.809
19 C19 C C19 S N N 0 -1.498 0.448 8.253
20 C20 C C20 R N N 0 -0.81 -0.42 2.981
21 C21 C C21 N N N 0 -1.279 1.021 2.777
22 C22 C C22 N N N 0 -1.126 -1.241 1.73
23 C23 C C23 N N N 0 -0.402 -0.635 0.526
24 O2 O O2 N N N 0 -4.434 0.201 11.688
25 O4 O O4 N N N 0 -3.43 0.351 6.029
26 C57 C C57 N N N 0 -0.714 -1.444 -0.706
27 N59 N N59 N N N 0 -0.259 -1.041 -1.909
28 C74 C C74 N N N 0 0.516 0.196 -2.022
29 C75 C C75 N N N 0 2.004 -0.116 -1.85
30 C76 C C76 N N N 0 2.814 1.176 -1.967
31 N77 N N77 N N N 0 4.238 0.876 -1.802
32 C78 C C78 N N N 0 5.147 1.869 -1.868
33 C80 C C80 R N N 0 6.613 1.561 -1.698
34 O86 O O86 N N N 0 7.369 2.768 -1.808
35 C81 C C81 S N N 0 7.057 0.58 -2.784
36 O87 O O87 N N N 0 6.839 1.163 -4.071
37 C82 C C82 R N N 0 8.545 0.267 -2.612
38 O88 O O88 N N N 0 9.301 1.475 -2.722
39 C83 C C83 R N N 0 8.989 -0.713 -3.698
40 O89 O O89 N N N 0 8.233 -1.92 -3.588
41 C84 C C84 N N N 0 10.477 -1.026 -3.526
42 O85 O O85 N N N 0 10.892 -1.942 -4.541
43 O79 O O79 N N N 0 4.786 3.01 -2.064
44 C68 C C68 N N N 0 -0.539 -1.841 -3.104
45 C69 C C69 N N N 0 -1.787 -1.295 -3.802
46 C70 C C70 N N N 0 -2.009 -2.051 -5.113
47 N71 N N71 N N N 0 -3.204 -1.529 -5.782
48 C72 C C72 N N N 0 -3.597 -2.047 -6.962
49 C90 C C90 R N N 0 -4.825 -1.51 -7.649
50 O96 O O96 N N N 0 -5.033 -2.216 -8.874
51 C91 C C91 S N N 0 -4.634 -0.021 -7.945
52 O97 O O97 N N N 0 -3.498 0.153 -8.794
53 C92 C C92 R N N 0 -5.881 0.524 -8.643
54 O98 O O98 N N N 0 -6.089 -0.181 -9.868
55 C93 C C93 R N N 0 -5.69 2.013 -8.939
56 O99 O O99 N N N 0 -5.482 2.719 -7.714
57 C94 C C94 N N N 0 -6.937 2.559 -9.637
58 O95 O O95 N N N 0 -6.758 3.949 -9.913
59 O73 O O73 N N N 0 -2.961 -2.947 -7.471
60 O58 O O58 N N N 0 -1.374 -2.457 -0.616
61 H11 H 1H1 N N N 0 -1.83 2.983 9.183
62 H12 H 2H1 N N N 0 -1.35 2.684 10.871
63 H31 H 1H3 N N N 0 -2.318 2.278 7.49
64 H32 H 2H3 N N N 0 -0.642 1.961 6.996
65 H4 H H4 N N N 0 -2.148 1.663 5.067
66 H6 H H6 N N N 0 -2.285 -1.614 6.766
67 H71 H 1H7 N N N 0 -0.727 -3.423 6.398
68 H72 H 2H7 N N N 0 0.583 -2.291 5.929
69 H81 H 1H8 N N N 0 -1.841 -3.177 4.344
70 H82 H 2H8 N N N 0 -0.219 -2.71 3.756
71 H9 H H9 N N N 0 -2.61 -1.033 4.014
72 H101 H 1H10 N N N 0 0.497 0.739 6.333
73 H102 H 2H10 N N N 0 0.907 -0.585 5.219
74 H103 H 3H10 N N N 0 0.343 0.974 4.575
75 H111 H 1H11 N N N 0 0.935 2.028 10.099
76 H112 H 2H11 N N N 0 1.128 0.744 8.881
77 H113 H 3H11 N N N 0 0.451 2.323 8.412
78 H121 H 1H12 N N N 0 -3.618 1.276 9.391
79 H122 H 2H12 N N N 0 -3.813 2.558 10.61
80 H13 H H13 N N N 0 -2.69 1.127 12.294
81 H141 H 1H14 N N N 0 -2.669 -0.939 10.049
82 H142 H 2H14 N N N 0 -2.19 -1.236 11.737
83 H151 H 1H15 N N N 0 -0.403 0.471 11.529
84 H161 H 1H16 N N N 0 0.093 -1.894 10.973
85 H162 H 2H16 N N N 0 1.049 -0.785 9.962
86 H171 H 1H17 N N N 0 -1.558 -2.142 9.139
87 H172 H 2H17 N N N 0 0.071 -2.611 8.6
88 H18 H H18 N N N 0 0.384 -0.376 7.577
89 H19 H H19 N N N 0 -2.491 0.063 8.482
90 H20 H H20 N N N 0 0.264 -0.43 3.161
91 H211 H 1H21 N N N 0 -2.354 1.032 2.598
92 H212 H 2H21 N N N 0 -1.054 1.606 3.669
93 H213 H 3H21 N N N 0 -0.763 1.453 1.919
94 H221 H 1H22 N N N 0 -0.792 -2.268 1.875
95 H222 H 2H22 N N N 0 -2.201 -1.231 1.55
96 H231 H 1H23 N N N 0 -0.737 0.392 0.38
97 H232 H 2H23 N N N 0 0.672 -0.645 0.705
98 HO2 H HO2 N N N 0 -4.953 0.966 11.97
99 HO4 H HO4 N N N 0 -4.002 1.08 6.307
100 H741 H 1H74 N N N 0 0.35 0.641 -3.003
101 H742 H 2H74 N N N 0 0.199 0.895 -1.248
102 H751 H 1H75 N N N 0 2.17 -0.561 -0.868
103 H752 H 2H75 N N N 0 2.32 -0.815 -2.624
104 H761 H 1H76 N N N 0 2.647 1.621 -2.949
105 H762 H 2H76 N N N 0 2.497 1.875 -1.193
106 H771 H 1H77 N N N 0 4.527 -0.035 -1.645
107 H801 H 1H80 N N N 0 6.779 1.116 -0.717
108 H861 H 1H86 N N N 0 7.194 3.129 -2.688
109 H811 H 1H81 N N N 0 6.48 -0.34 -2.7
110 H871 H 1H87 N N N 0 7.366 1.973 -4.103
111 H821 H 1H82 N N N 0 8.711 -0.177 -1.631
112 H881 H 1H88 N N N 0 9.126 1.835 -3.602
113 H831 H 1H83 N N N 0 8.823 -0.268 -4.68
114 H891 H 1H89 N N N 0 8.408 -2.281 -2.708
115 H841 H 1H84 N N N 0 11.054 -0.105 -3.61
116 H682 H 2H68 N N N 0 0.31 -1.788 -3.785
117 H842 H 2H84 N N N 0 10.643 -1.47 -2.545
118 H851 H 1H85 N N N 0 11.833 -2.112 -4.396
119 H681 H 1H68 N N N 0 -0.709 -2.878 -2.815
120 H691 H 1H69 N N N 0 -2.653 -1.429 -3.154
121 H692 H 2H69 N N N 0 -1.65 -0.235 -4.013
122 H701 H 1H70 N N N 0 -1.143 -1.918 -5.761
123 H702 H 2H70 N N N 0 -2.146 -3.112 -4.903
124 H711 H 1H71 N N N 0 -3.711 -0.81 -5.375
125 H901 H 1H90 N N N 0 -5.692 -1.643 -7.002
126 H961 H 1H96 N N N 0 -4.246 -2.072 -9.417
127 H911 H 1H91 N N N 0 -4.475 0.517 -7.011
128 H971 H 1H97 N N N 0 -3.679 -0.337 -9.608
129 H921 H 1H92 N N N 0 -6.748 0.391 -7.995
130 H981 H 1H98 N N N 0 -5.302 -0.038 -10.411
131 H951 H 1H95 N N N 0 -7.565 4.253 -10.352
132 H931 H 1H93 N N N 0 -4.823 2.146 -9.587
133 H991 H 1H99 N N N 0 -6.269 2.575 -7.172
134 H941 H 1H94 N N N 0 -7.096 2.02 -10.571
135 H942 H 2H94 N N N 0 -7.804 2.425 -8.989