Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 81Q

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 192


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O01 O O1 N N N 0 2.211 7.303 2.728
2 C02 C C1 R N N 0 0.807 7.138 2.935
3 C03 C C2 R N N 0 0.196 6.413 1.734
4 O04 O O2 N N N 0 0.82 5.11 1.587
5 C05 C C3 N N N 0 1.839 5.017 0.718
6 C06 C C4 N N N 0 2.465 3.676 0.432
7 C07 C C5 N N N 0 3.685 3.865 -0.472
8 C08 C C6 N N N 0 4.384 2.52 -0.674
9 C09 C C7 N N N 0 5.667 2.727 -1.481
10 C10 C C8 N N N 0 6.304 1.37 -1.783
11 C11 C C9 N N N 0 7.646 1.582 -2.488
12 C12 C C10 N N N 0 8.228 0.227 -2.894
13 C13 C C11 N N N 0 9.621 0.429 -3.494
14 C14 C C12 N N N 0 10.204 -0.926 -3.9
15 C15 C C13 N N N 0 11.597 -0.723 -4.5
16 C16 C C14 N N N 0 12.179 -2.078 -4.906
17 C17 C C15 N N N 0 13.572 -1.875 -5.506
18 C18 C C16 N N N 0 14.155 -3.23 -5.912
19 C19 C C17 N N N 0 15.547 -3.028 -6.512
20 C20 C C18 N N N 0 16.13 -4.383 -6.919
21 O21 O O3 N N N 0 2.254 6.008 0.166
22 C22 C C19 S N N 0 0.571 6.314 4.202
23 O23 O O4 N N N 0 1.141 6.991 5.324
24 C24 C C20 S N N 0 -0.933 6.137 4.423
25 O25 O O5 N N N 0 -1.153 5.367 5.607
26 C26 C C21 R N N 0 -1.543 5.412 3.223
27 O27 O O6 N N N 0 -2.948 5.247 3.429
28 C93 C C52 S N N 0 -1.308 6.236 1.955
29 O94 O O35 N N N 0 -1.878 5.559 0.834
30 P95 P P4 N N N 0 -2.938 6.25 -0.162
31 O96 O O36 N N N 0 -3.276 5.241 -1.37
32 C97 C C53 N N N 0 -4.112 5.6 -2.472
33 C98 C C54 R N N 0 -4.821 4.351 -3.001
34 O99 O O37 N N N 0 -5.674 3.802 -1.962
35 CA0 C C55 N N N 0 -6.779 3.153 -2.361
36 CA1 C C56 N N N 0 -7.713 2.556 -1.339
37 CA2 C C57 N N N 0 -8.884 1.878 -2.053
38 CA3 C C58 N N N 0 -9.832 1.273 -1.016
39 CA4 C C59 N N N 0 -10.985 0.605 -1.719
40 CA5 C C60 N N N 0 -11.301 -0.633 -1.428
41 CA6 C C61 N N N 0 -10.659 -1.318 -0.25
42 CA7 C C62 N N N 0 -11.728 -1.777 0.708
43 CA8 C C63 N N N 0 -11.761 -3.026 1.104
44 CA9 C C64 N N N 0 -10.638 -3.962 0.738
45 CAA C C65 N N N 0 -10.108 -4.622 1.984
46 CAB C C66 N N N 0 -10.018 -5.928 2.046
47 CAC C C67 N N N 0 -10.283 -6.76 0.818
48 CAD C C68 N N N 0 -9.12 -7.688 0.579
49 CAE C C69 N N N 0 -9.325 -8.973 0.437
50 CAF C C70 N N N 0 -10.732 -9.506 0.343
51 CAG C C71 N N N 0 -10.867 -10.371 -0.911
52 CAH C C72 N N N 0 -12.295 -10.912 -1.007
53 CAI C C73 N N N 0 -12.431 -11.778 -2.261
54 CAJ C C74 N N N 0 -13.859 -12.318 -2.356
55 OAK O O38 N N N 0 -7.025 3.047 -3.539
56 CAL C C75 N N N 0 -3.779 3.308 -3.41
57 OAM O O39 N N N 0 -2.882 3.079 -2.321
58 CAN C C76 N N N 0 -1.933 2.038 -2.56
59 CAO C C77 N N N 0 -1.107 1.8 -1.293
60 CAP C C78 N N N 0 -0.014 0.77 -1.583
61 CAQ C C79 N N N 0 0.736 0.445 -0.29
62 CAR C C80 N N N 0 1.753 -0.667 -0.555
63 CAS C C81 N N N 0 2.421 -1.071 0.76
64 CAT C C82 N N N 0 3.518 -2.101 0.48
65 CAU C C83 N N N 0 4.262 -2.42 1.778
66 CAV C C84 N N N 0 5.43 -3.361 1.478
67 CAW C C85 N N N 0 6.243 -3.589 2.754
68 CAX C C86 N N N 0 7.411 -4.53 2.454
69 CAY C C87 N N N 0 8.224 -4.758 3.73
70 CAZ C C88 N N N 0 9.392 -5.699 3.43
71 CB0 C C89 N N N 0 10.204 -5.926 4.707
72 CB1 C C90 N N N 0 11.372 -6.868 4.406
73 CB2 C C91 N N N 0 12.185 -7.095 5.683
74 CB3 C C92 N N N 0 13.353 -8.037 5.383
75 CB4 C C93 N N N 0 14.166 -8.264 6.659
76 OB5 O O40 N N N 0 -4.18 6.563 0.581
77 OB6 O O41 N N N 0 -2.311 7.609 -0.755
78 H1 H H1 N N N 0 2.664 7.756 3.452
79 H2 H H2 N N N 0 0.338 8.116 3.045
80 H3 H H3 N N N 0 0.364 7.0 0.831
81 H4 H H4 N N N 0 2.775 3.213 1.368
82 H5 H H5 N N N 0 1.738 3.035 -0.068
83 H6 H H6 N N N 0 3.364 4.257 -1.438
84 H7 H H7 N N N 0 4.376 4.568 -0.007
85 H8 H H8 N N N 0 4.631 2.089 0.297
86 H9 H H9 N N N 0 3.721 1.843 -1.213
87 H10 H H10 N N N 0 5.429 3.233 -2.417
88 H11 H H11 N N N 0 6.364 3.336 -0.906
89 H12 H H12 N N N 0 6.466 0.828 -0.851
90 H13 H H13 N N N 0 5.642 0.792 -2.428
91 H14 H H14 N N N 0 7.496 2.194 -3.377
92 H15 H H15 N N N 0 8.336 2.086 -1.812
93 H16 H H16 N N N 0 8.301 -0.416 -2.016
94 H17 H H17 N N N 0 7.579 -0.241 -3.634
95 H18 H H18 N N N 0 9.549 1.071 -4.372
96 H19 H H19 N N N 0 10.271 0.897 -2.754
97 H20 H H20 N N N 0 10.276 -1.568 -3.023
98 H21 H H21 N N N 0 9.554 -1.394 -4.64
99 H22 H H22 N N N 0 11.524 -0.081 -5.378
100 H23 H H23 N N N 0 12.246 -0.255 -3.761
101 H24 H H24 N N N 0 12.252 -2.72 -4.029
102 H25 H H25 N N N 0 11.529 -2.546 -5.646
103 H26 H H26 N N N 0 13.499 -1.233 -6.384
104 H27 H H27 N N N 0 14.222 -1.408 -4.767
105 H28 H H28 N N N 0 14.227 -3.873 -5.035
106 H29 H H29 N N N 0 13.505 -3.698 -6.652
107 H30 H H30 N N N 0 15.475 -2.386 -7.39
108 H31 H H31 N N N 0 16.197 -2.56 -5.773
109 H32 H H32 N N N 0 15.48 -4.851 -7.658
110 H33 H H33 N N N 0 17.122 -4.238 -7.346
111 H34 H H34 N N N 0 16.202 -5.025 -6.041
112 H35 H H35 N N N 0 1.039 5.336 4.092
113 H36 H H36 N N N 0 1.029 6.525 6.163
114 H37 H H37 N N N 0 -1.401 7.115 4.534
115 H38 H H38 N N N 0 -0.791 5.768 6.41
116 H39 H H39 N N N 0 -1.075 4.434 3.112
117 H104 H H104 N N N 0 -1.776 7.214 2.066
118 H105 H H105 N N N 0 -4.854 6.327 -2.143
119 H106 H H106 N N N 0 -3.503 6.035 -3.264
120 H107 H H107 N N N 0 -5.428 4.617 -3.867
121 H108 H H108 N N N 0 -7.175 1.819 -0.742
122 H109 H H109 N N N 0 -8.091 3.345 -0.688
123 H110 H H110 N N N 0 -9.422 2.615 -2.65
124 H111 H H111 N N N 0 -8.506 1.09 -2.704
125 H112 H H112 N N N 0 -9.294 0.536 -0.419
126 H113 H H113 N N N 0 -10.21 2.061 -0.365
127 H114 H H114 N N N 0 -11.552 1.147 -2.462
128 H116 H H116 N N N 0 -12.022 -1.162 -2.034
129 H118 H H118 N N N 0 -10.088 -2.179 -0.597
130 H119 H H119 N N N 0 -9.992 -0.62 0.257
131 H120 H H120 N N N 0 -12.467 -1.077 1.069
132 H122 H H122 N N N 0 -12.592 -3.384 1.692
133 H124 H H124 N N N 0 -11.009 -4.724 0.052
134 H125 H H125 N N N 0 -9.838 -3.399 0.257
135 H126 H H126 N N N 0 -9.802 -4.019 2.827
136 H128 H H128 N N N 0 -9.754 -6.407 2.977
137 H130 H H130 N N N 0 -11.19 -7.346 0.965
138 H131 H H131 N N N 0 -10.409 -6.106 -0.044
139 H132 H H132 N N N 0 -8.116 -7.292 0.525
140 H134 H H134 N N N 0 -8.487 -9.652 0.386
141 H136 H H136 N N N 0 -10.953 -10.107 1.225
142 H137 H H137 N N N 0 -11.433 -8.672 0.286
143 H138 H H138 N N N 0 -10.647 -9.77 -1.793
144 H139 H H139 N N N 0 -10.167 -11.205 -0.855
145 H140 H H140 N N N 0 -12.516 -11.513 -0.125
146 H141 H H141 N N N 0 -12.996 -10.079 -1.063
147 H142 H H142 N N N 0 -12.21 -11.176 -3.143
148 H143 H H143 N N N 0 -11.73 -12.611 -2.204
149 H144 H H144 N N N 0 -14.08 -12.919 -1.474
150 H145 H H145 N N N 0 -14.559 -11.485 -2.412
151 H146 H H146 N N N 0 -13.955 -12.935 -3.25
152 H147 H H147 N N N 0 -4.281 2.375 -3.669
153 H148 H H148 N N N 0 -3.22 3.671 -4.272
154 H149 H H149 N N N 0 -2.458 1.121 -2.828
155 H150 H H150 N N N 0 -1.271 2.33 -3.375
156 H151 H H151 N N N 0 -0.649 2.737 -0.977
157 H152 H H152 N N N 0 -1.757 1.428 -0.501
158 H153 H H153 N N N 0 -0.467 -0.14 -1.978
159 H154 H H154 N N N 0 0.683 1.176 -2.316
160 H155 H H155 N N N 0 1.257 1.337 0.062
161 H156 H H156 N N N 0 0.027 0.116 0.47
162 H160 H H160 N N N 0 1.677 -1.506 1.428
163 H157 H H157 N N N 0 1.243 -1.53 -0.984
164 H158 H H158 N N N 0 2.51 -0.309 -1.253
165 H159 H H159 N N N 0 2.861 -0.191 1.23
166 H161 H H161 N N N 0 3.068 -3.012 0.086
167 H162 H H162 N N N 0 4.218 -1.696 -0.251
168 H163 H H163 N N N 0 4.642 -1.497 2.215
169 H164 H H164 N N N 0 3.58 -2.9 2.48
170 H165 H H165 N N N 0 5.045 -4.315 1.117
171 H166 H H166 N N N 0 6.069 -2.916 0.715
172 H167 H H167 N N N 0 6.628 -2.635 3.114
173 H168 H H168 N N N 0 5.604 -4.034 3.517
174 H169 H H169 N N N 0 7.026 -5.484 2.094
175 H170 H H170 N N N 0 8.05 -4.085 1.691
176 H171 H H171 N N N 0 8.609 -3.804 4.091
177 H172 H H172 N N N 0 7.585 -5.203 4.493
178 H173 H H173 N N N 0 9.006 -6.653 3.07
179 H174 H H174 N N N 0 10.03 -5.254 2.667
180 H175 H H175 N N N 0 10.59 -4.973 5.067
181 H176 H H176 N N N 0 9.566 -6.372 5.469
182 H177 H H177 N N N 0 10.987 -7.822 4.046
183 H178 H H178 N N N 0 12.011 -6.423 3.644
184 H179 H H179 N N N 0 12.57 -6.141 6.043
185 H180 H H180 N N N 0 11.546 -7.541 6.445
186 H181 H H181 N N N 0 12.968 -8.991 5.022
187 H182 H H182 N N N 0 13.992 -7.591 4.62
188 H183 H H183 N N N 0 14.551 -7.31 7.019
189 H184 H H184 N N N 0 13.527 -8.71 7.422
190 H185 H H185 N N N 0 14.998 -8.935 6.445
191 H186 H H186 N N N 0 -1.494 7.479 -1.255
192 H40 H H40 N N Y 0 -3.171 4.733 4.217