Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Atoms of Molecule

 Molecule : 6O1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 208


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C14 C C1 R N N 0 -11.76 1.538 -0.456
2 C11 C C2 N N N 0 -10.602 -1.077 -0.071
3 C10 C C3 S N N 0 -9.787 0.177 -0.401
4 C12 C C4 R N N 0 -12.004 -0.936 -0.672
5 C13 C C5 R N N 0 -12.655 0.34 -0.129
6 C01 C C6 N Y N 0 -18.77 1.788 -1.642
7 O01 O O1 N N N 0 -20.009 1.987 -2.16
8 C02 C C7 N Y N 0 -17.782 2.744 -1.829
9 CL1 CL CL1 N N N 0 -18.132 4.19 -2.724
10 C03 C C8 N Y N 0 -16.516 2.545 -1.303
11 O03 O O2 N N N 0 -15.549 3.479 -1.485
12 C04 C C9 N Y N 0 -16.239 1.374 -0.581
13 C05 C C10 N Y N 0 -17.243 0.417 -0.398
14 C06 C C11 N Y N 0 -18.498 0.628 -0.922
15 CL2 CL CL2 N N N 0 -19.742 -0.56 -0.693
16 C07 C C12 N N N 0 -15.443 4.504 -0.495
17 C08 C C13 N N N 0 -16.951 -0.843 0.376
18 C09 C C14 N N N 0 -14.897 1.154 -0.018
19 O09 O O3 N N N 0 -14.637 1.542 1.104
20 O12 O O4 N N N 0 -12.795 -2.07 -0.309
21 O13 O O5 N N N 0 -13.956 0.522 -0.747
22 O14 O O6 N N N 0 -10.463 1.33 0.105
23 C15 C C15 N N N 0 -12.373 2.809 0.135
24 C16 C C16 R N N 0 -4.865 2.045 -0.399
25 C17 C C17 N N N 0 -5.885 2.763 0.484
26 C18 C C18 R N N 0 -6.927 1.751 0.973
27 O18 O O7 N N N 0 -7.932 2.429 1.73
28 C19 C C19 S N N 0 -7.568 1.07 -0.241
29 O19 O O8 N N N 0 -8.495 0.078 0.204
30 C20 C C20 R N N 0 -6.475 0.408 -1.083
31 O20 O O9 N N N 0 -5.522 1.395 -1.485
32 C21 C C21 N N N 0 -7.104 -0.229 -2.324
33 C22 C C22 S N N 0 -0.468 1.709 1.014
34 C23 C C23 S N N 0 -1.849 1.156 1.411
35 O23 O O10 N N N 0 -2.336 1.844 2.565
36 C24 C C24 R N N 0 -2.775 1.395 0.235
37 O24 O O11 N N N 0 -4.149 1.068 0.387
38 C25 C C25 R N N 0 -2.84 2.935 0.014
39 O25 O O12 N N N 0 -3.919 3.011 -0.918
40 C26 C C26 R N N 0 -1.467 3.359 -0.472
41 O26 O O13 N N N 0 -0.539 3.065 0.586
42 C27 C C27 N N N 0 -2.214 0.713 -1.014
43 C28 C C28 N N N 0 -1.46 4.859 -0.771
44 C29 C C29 S N N 0 4.007 1.102 1.174
45 C30 C C30 R N N 0 2.542 0.725 1.407
46 O30 O O14 N N N 0 1.982 0.213 0.196
47 C31 C C31 R N N 0 1.765 1.97 1.845
48 O31 O O15 N N N 0 0.412 1.612 2.136
49 C32 C C32 S N N 0 2.421 2.553 3.1
50 O32 O O16 N N N 0 2.338 1.605 4.167
51 C33 C C33 R N N 0 3.891 2.86 2.802
52 O33 O O17 N N N 0 4.548 1.666 2.371
53 C34 C C34 N N N 0 1.24 1.824 5.055
54 C35 C C35 N N N 0 4.57 3.386 4.068
55 C36 C C36 S N N 0 8.837 -0.732 0.284
56 C37 C C37 S N N 0 8.45 0.317 1.329
57 O37 O O18 N N N 0 8.618 1.625 0.778
58 C38 C C38 S N N 0 6.985 0.114 1.727
59 O38 O O19 N N N 0 6.594 1.133 2.649
60 C39 C C39 S N N 0 6.11 0.194 0.471
61 O39 O O20 N N N 0 4.749 -0.066 0.82
62 C40 C C40 R N N 0 6.588 -0.85 -0.541
63 O40 O O21 N N N 0 7.966 -0.623 -0.844
64 C41 C C41 N N N 0 9.918 2.181 0.986
65 C42 C C42 N N N 0 5.758 -0.737 -1.821
66 O42 O O22 N N N 0 6.124 -1.785 -2.721
67 C43 C C43 N N N 0 5.404 -1.77 -3.955
68 C44 C C44 S N N 0 10.686 -1.509 -1.029
69 C45 C C45 R N N 0 12.092 -1.099 -1.501
70 O44 O O23 N N N 0 10.186 -0.514 -0.134
71 O45 O O24 N N N 0 12.558 -2.013 -2.496
72 C46 C C46 S N N 0 12.998 -1.15 -0.287
73 O46 O O25 N N N 0 14.385 -0.904 -0.473
74 C47 C C47 S N N 0 13.001 -2.627 0.204
75 O47 O O26 N N N 0 14.071 -2.578 1.15
76 C48 C C48 N N N 0 11.61 -2.904 0.741
77 O48 O O27 N N N 0 10.7 -2.768 -0.363
78 C49 C C49 R N N 0 15.053 -1.749 0.486
79 C50 C C50 R N N 0 15.806 -0.914 1.497
80 O50 O O28 N N N 0 15.083 0.101 2.193
81 C51 C C51 S N N 0 16.808 -0.035 0.692
82 O51 O O29 N N N 0 17.239 0.889 1.68
83 C52 C C52 R N N 0 17.833 -0.981 0.099
84 O52 O O30 N N N 0 18.83 -0.229 -0.642
85 C53 C C53 N N N 0 17.079 -1.929 -0.85
86 O53 O O31 N N N 0 15.999 -2.585 -0.191
87 C54 C C54 N N N 0 16.124 1.031 2.591
88 C55 C C55 N N N 0 20.072 -0.749 -0.697
89 O55 O O32 N N N 0 20.316 -1.802 -0.141
90 C56 C C56 N Y N 0 21.134 -0.041 -1.43
91 C57 C C57 N Y N 0 21.943 0.896 -0.769
92 O57 O O33 N N N 0 21.751 1.154 0.549
93 C58 C C58 N Y N 0 22.939 1.555 -1.469
94 C59 C C59 N Y N 0 23.131 1.287 -2.816
95 O59 O O34 N N N 0 24.108 1.934 -3.502
96 C60 C C60 N Y N 0 22.327 0.357 -3.468
97 C61 C C61 N Y N 0 21.345 -0.304 -2.788
98 C62 C C62 N N N 0 20.484 -1.314 -3.502
99 C63 C C63 R N N 0 -12.718 -3.154 -1.237
100 C64 C C64 N N N 0 -13.779 -4.201 -0.888
101 C65 C C65 R N N 0 -13.491 -4.763 0.507
102 N65 N N1 N N N 1 -14.458 -5.818 0.82
103 O71 O O35 N N N 0 -14.402 -6.398 1.889
104 O72 O O36 N N N -1 -15.318 -6.116 0.01
105 C66 C C66 S N N 0 -12.073 -5.342 0.53
106 O66 O O37 N N N 0 -11.767 -5.804 1.847
107 C67 C C67 S N N 0 -11.078 -4.251 0.126
108 O67 O O38 N N N 0 -11.421 -3.75 -1.168
109 C68 C C68 N N N 0 -13.603 -3.643 1.543
110 C69 C C69 N N N 0 -11.312 -7.158 1.896
111 C70 C C70 N N N 0 -9.665 -4.837 0.088
112 H1 H H1 N N N 0 -11.676 1.644 -1.537
113 H2 H H2 N N N 0 -10.11 -1.952 -0.495
114 H3 H H3 N N N 0 -10.677 -1.188 1.01
115 H4 H H4 N N N 0 -9.676 0.265 -1.481
116 H5 H H5 N N N 0 -11.931 -0.875 -1.757
117 H6 H H6 N N N 0 -12.772 0.257 0.952
118 H7 H H7 N N N 0 -20.121 1.643 -3.056
119 H8 H H8 N N N 0 -14.632 5.183 -0.76
120 H9 H H9 N N N 0 -16.38 5.059 -0.445
121 H10 H H10 N N N 0 -15.236 4.053 0.475
122 H11 H H11 N N N 0 -17.169 -0.679 1.432
123 H12 H H12 N N N 0 -17.574 -1.654 -0.001
124 H13 H H13 N N N 0 -15.9 -1.107 0.259
125 H14 H H14 N N N 0 -11.736 3.662 -0.097
126 H15 H H15 N N N 0 -13.363 2.968 -0.293
127 H16 H H16 N N N 0 -12.458 2.703 1.217
128 H17 H H17 N N N 0 -5.377 3.204 1.341
129 H18 H H18 N N N 0 -6.378 3.546 -0.091
130 H19 H H19 N N N 0 -6.443 1.001 1.598
131 H20 H H20 N N N 0 -7.594 2.888 2.51
132 H21 H H21 N N N 0 -8.091 1.814 -0.842
133 H22 H H22 N N N 0 -5.976 -0.36 -0.493
134 H23 H H23 N N N 0 -7.678 0.522 -2.867
135 H24 H H24 N N N 0 -6.317 -0.621 -2.969
136 H25 H H25 N N N 0 -7.764 -1.042 -2.021
137 H26 H H26 N N N 0 -0.068 1.11 0.196
138 H27 H H27 N N N 0 -1.778 0.089 1.618
139 H28 H H28 N N N 0 -1.767 1.761 3.342
140 H29 H H29 N N N 0 -3.088 3.445 0.944
141 H30 H H30 N N N 0 -1.2 2.799 -1.368
142 H31 H H31 N N N 0 -2.231 -0.368 -0.877
143 H32 H H32 N N N 0 -2.823 0.979 -1.878
144 H33 H H33 N N N 0 -1.188 1.042 -1.178
145 H34 H H34 N N N 0 -1.706 5.412 0.136
146 H35 H H35 N N N 0 -0.47 5.156 -1.119
147 H36 H H36 N N N 0 -2.197 5.08 -1.543
148 H37 H H37 N N N 0 4.07 1.832 0.368
149 H38 H H38 N N N 0 2.48 -0.035 2.187
150 H39 H H39 N N N 0 2.429 -0.576 -0.141
151 H40 H H40 N N N 0 1.784 2.711 1.046
152 H44 H H44 N N N 0 1.289 2.839 5.45
153 H41 H H41 N N N 0 1.908 3.471 3.387
154 H42 H H42 N N N 0 3.953 3.613 2.017
155 H43 H H43 N N N 0 1.291 1.111 5.877
156 H45 H H45 N N N 0 0.303 1.69 4.514
157 H46 H H46 N N N 0 4.593 2.599 4.822
158 H47 H H47 N N N 0 5.589 3.695 3.833
159 H48 H H48 N N N 0 4.011 4.24 4.452
160 H49 H H49 N N N 0 8.747 -1.728 0.717
161 H50 H H50 N N N 0 9.085 0.208 2.208
162 H51 H H51 N N N 0 6.865 -0.864 2.192
163 H52 H H52 N N N 0 7.112 1.144 3.466
164 H53 H H53 N N N 0 6.192 1.189 0.034
165 H54 H H54 N N N 0 6.468 -1.848 -0.118
166 H55 H H55 N N N 0 10.115 2.254 2.056
167 H56 H H56 N N N 0 10.667 1.538 0.523
168 H57 H H57 N N N 0 9.965 3.173 0.539
169 H58 H H58 N N N 0 4.699 -0.821 -1.577
170 H59 H H59 N N N 0 5.947 0.228 -2.292
171 H60 H H60 N N N 0 4.338 -1.875 -3.755
172 H61 H H61 N N N 0 5.585 -0.826 -4.47
173 H62 H H62 N N N 0 5.74 -2.596 -4.582
174 H63 H H63 N N N 0 10.025 -1.573 -1.894
175 H64 H H64 N N N 0 12.068 -0.087 -1.906
176 H65 H H65 N N N 0 11.999 -2.055 -3.284
177 H66 H H66 N N N 0 12.608 -0.496 0.493
178 H67 H H67 N N N 0 13.247 -3.303 -0.615
179 H68 H H68 N N N 0 11.56 -3.917 1.141
180 H69 H H69 N N N 0 11.361 -2.184 1.521
181 H70 H H70 N N N 0 16.341 -1.558 2.196
182 H71 H H71 N N N 0 16.282 0.488 -0.107
183 H72 H H72 N N N 0 18.314 -1.553 0.893
184 H73 H H73 N N N 0 16.686 -1.354 -1.689
185 H74 H H74 N N N 0 17.772 -2.68 -1.228
186 H75 H H75 N N N 0 15.741 2.05 2.547
187 H76 H H76 N N N 0 16.448 0.805 3.607
188 H77 H H77 N N N 0 22.267 0.588 1.14
189 H78 H H78 N N N 0 23.566 2.278 -0.967
190 H79 H H79 N N N 0 24.962 1.481 -3.491
191 H80 H H80 N N N 0 22.483 0.153 -4.517
192 H81 H H81 N N N 0 19.61 -0.815 -3.921
193 H82 H H82 N N N 0 21.057 -1.778 -4.304
194 H83 H H83 N N N 0 20.161 -2.08 -2.796
195 H84 H H84 N N N 0 -12.893 -2.781 -2.246
196 H86 H H86 N N N 0 -14.765 -3.737 -0.898
197 H85 H H85 N N N 0 -13.749 -5.008 -1.621
198 H88 H H88 N N N 0 -14.547 -3.116 1.408
199 H90 H H90 N N N 0 -13.565 -4.07 2.545
200 H87 H H87 N N N 0 -12.776 -2.945 1.414
201 H91 H H91 N N N 0 -9.65 -5.706 -0.57
202 H95 H H95 N N N 0 -10.359 -7.241 1.373
203 H89 H H89 N N N 0 -8.97 -4.086 -0.287
204 H92 H H92 N N N 0 -9.369 -5.137 1.093
205 H94 H H94 N N N 0 -12.047 -7.806 1.418
206 H93 H H93 N N N 0 -11.183 -7.46 2.936
207 H96 H H96 N N N 0 -12.007 -6.173 -0.174
208 H97 H H97 N N N 0 -11.115 -3.439 0.852