Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JH0

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 159


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O4 O O4 N N N 0 -3.838 4.313 4.441
2 C C C N N N 0 -3.474 5.488 4.528
3 C12 C C12 N N N 0 -3.288 6.317 3.268
4 C13 C C13 N N N 0 -4.222 5.886 2.138
5 C14 C C14 N N N 0 -5.7 6.071 2.494
6 C15 C C15 N N N 0 -6.606 5.656 1.332
7 C16 C C16 N N N 0 -8.084 5.811 1.7
8 C17 C C17 N N N 0 -9.038 5.481 0.548
9 C18 C C18 N N N 0 -10.512 5.709 0.896
10 C19 C C19 N N N 0 -11.465 5.379 -0.258
11 C20 C C20 N N N 0 -12.937 5.626 0.08
12 C21 C C21 N N N 0 -13.886 5.305 -1.08
13 C22 C C22 N N N 0 -15.373 5.553 -0.808
14 C23 C C23 N N N 0 -16.316 5.298 -1.988
15 C24 C C24 N N N 0 -17.791 5.514 -1.645
16 C25 C C25 N N N 0 -18.692 5.159 -2.828
17 C26 C C26 N N N 0 -20.158 5.401 -2.505
18 N N N N N N 0 -3.217 6.113 5.716
19 ON1 O ON1 N N N 0 -2.803 7.446 5.821
20 C1 C C1 N N N 0 -3.341 5.472 7.007
21 C2 C C2 N N N 0 -2.029 5.449 7.786
22 C3 C C3 N N N 0 -0.921 4.676 7.062
23 C4 C C4 N N N 0 0.38 4.684 7.873
24 C5 C C5 S N N 0 1.495 3.869 7.208
25 N2 N N2 N N N 0 1.903 4.471 5.963
26 C11 C C11 N N N 0 2.925 5.399 5.868
27 O3 O O3 N N N 0 3.604 5.828 6.794
28 C39 C C39 R N N 0 3.18 5.888 4.481
29 N4 N N4 N N N 0 4.603 6.233 4.411
30 C38 C C38 N N N 0 4.606 7.527 4.356
31 O6 O O6 N N N 0 3.426 8.19 4.323
32 C37 C C37 N N N 0 2.441 7.174 4.178
33 C45 C C45 N Y N 0 5.751 8.404 4.322
34 C44 C C44 N Y N 0 5.66 9.636 3.659
35 C43 C C43 N Y N 0 6.756 10.498 3.615
36 C42 C C42 N Y N 0 7.953 10.137 4.232
37 C41 C C41 N Y N 0 8.055 8.914 4.895
38 C40 C C40 N Y N 0 6.959 8.051 4.939
39 O7 O O7 N N N 0 7.079 6.86 5.591
40 C6 C C6 N N N 0 1.038 2.43 7.002
41 O O O N N N 0 0.716 1.698 7.932
42 O1 O O1 N N N 0 1.03 2.072 5.687
43 C7 C C7 R N N 0 0.608 0.733 5.408
44 C9 C C9 N N N 0 1.533 -0.23 6.141
45 C8 C C8 N N N 0 0.666 0.51 3.897
46 C10 C C10 N N N 0 -0.205 1.487 3.12
47 O2 O O2 N N N 0 -0.905 2.341 3.656
48 N1 N N1 N N N 0 -0.098 1.286 1.751
49 C35 C C35 S N N 0 -0.816 2.079 0.792
50 C36 C C36 N N N 0 -1.263 1.191 -0.358
51 O5 O O5 N N N 0 -2.412 0.738 -0.361
52 C34 C C34 N N N 0 -0.114 3.377 0.397
53 C33 C C33 N N N 0 1.335 3.253 -0.068
54 C32 C C32 N N N 0 1.501 2.551 -1.41
55 C31 C C31 N N N 0 1.098 1.085 -1.372
56 N3 N N3 N N N 0 -0.344 0.903 -1.329
57 ON2 O ON2 N N N 0 -0.803 0.028 -2.33
58 SI70 SI SI70 N N N 0 -1.504 0.852 -3.603
59 C27 C C27 N N N 0 -3.078 1.72 -3.128
60 C28 C C28 N N N 0 -3.712 2.389 -4.368
61 C29 C C29 N N N 0 -4.087 0.71 -2.538
62 C30 C C30 N N N 0 -2.788 2.808 -2.07
63 C46 C C46 N Y N 0 -0.204 1.997 -4.334
64 C47 C C47 N Y N 0 -1.796 -0.375 -5.003
65 C48 C C48 N Y N 0 1.981 2.324 -5.275
66 C49 C C49 N Y N 0 1.71 3.684 -5.42
67 C50 C C50 N Y N 0 0.476 4.196 -5.019
68 C51 C C51 N Y N 0 -0.487 3.347 -4.473
69 C52 C C52 N Y N 0 1.019 1.475 -4.729
70 C53 C C53 N Y N 0 -2.25 0.089 -6.226
71 C54 C C54 N Y N 0 -2.462 -0.819 -7.264
72 C55 C C55 N Y N 0 -2.217 -2.177 -7.063
73 C56 C C56 N Y N 0 -1.76 -2.628 -5.825
74 C57 C C57 N Y N 0 -1.548 -1.72 -4.787
75 H121 H 1H12 N N N 0 -3.454 7.371 3.521
76 H122 H 2H12 N N N 0 -2.245 6.243 2.939
77 H131 H 1H13 N N N 0 -4.042 4.839 1.868
78 H132 H 2H13 N N N 0 -3.99 6.488 1.25
79 H141 H 1H14 N N N 0 -5.949 5.472 3.378
80 H142 H 2H14 N N N 0 -5.887 7.121 2.75
81 H151 H 1H15 N N N 0 -6.38 6.271 0.453
82 H152 H 2H15 N N N 0 -6.391 4.616 1.066
83 H161 H 1H16 N N N 0 -8.319 5.18 2.566
84 H162 H 2H16 N N N 0 -8.267 6.849 2.007
85 H171 H 1H17 N N N 0 -8.887 4.442 0.231
86 H172 H 2H17 N N N 0 -8.761 6.115 -0.302
87 H181 H 1H18 N N N 0 -10.79 5.075 1.745
88 H182 H 2H18 N N N 0 -10.662 6.748 1.213
89 H191 H 1H19 N N N 0 -11.332 4.321 -0.518
90 H192 H 2H19 N N N 0 -11.174 5.961 -1.14
91 H201 H 1H20 N N N 0 -13.22 4.997 0.933
92 H202 H 2H20 N N N 0 -13.087 6.663 0.398
93 H211 H 1H21 N N N 0 -13.738 4.258 -1.371
94 H212 H 2H21 N N N 0 -13.592 5.902 -1.953
95 H221 H 1H22 N N N 0 -15.493 6.592 -0.478
96 H222 H 2H22 N N N 0 -15.696 4.932 0.036
97 H231 H 1H23 N N N 0 -16.035 5.93 -2.839
98 H232 H 2H23 N N N 0 -16.174 4.261 -2.317
99 H241 H 1H24 N N N 0 -18.061 4.897 -0.779
100 H242 H 2H24 N N N 0 -17.964 6.56 -1.365
101 H251 H 1H25 N N N 0 -18.553 4.106 -3.1
102 H252 H 2H25 N N N 0 -18.413 5.759 -3.702
103 H261 H 1H26 N N N 0 -20.478 4.791 -1.654
104 H262 H 2H26 N N N 0 -20.784 5.14 -3.364
105 H263 H 3H26 N N N 0 -20.338 6.453 -2.261
106 HN1 H HN1 N N N 0 -3.662 7.891 5.917
107 H11 H 1H1 N N N 0 -4.093 6.035 7.569
108 H12 H 2H1 N N N 0 -3.725 4.46 6.843
109 H21 H 1H2 N N N 0 -2.213 4.977 8.759
110 H22 H 2H2 N N N 0 -1.694 6.475 7.983
111 H31 H 1H3 N N N 0 -1.244 3.641 6.899
112 H32 H 2H3 N N N 0 -0.744 5.119 6.076
113 H41A H 1H4 N N N 0 0.713 5.72 8.02
114 H42A H 2H4 N N N 0 0.175 4.279 8.873
115 H5 H H5 N N N 0 2.387 3.832 7.843
116 HN2 H HN2 N N N 0 1.416 4.199 5.113
117 H39 H H39 N N N 0 2.922 5.092 3.775
118 H371 H 1H37 N N N 0 2.074 7.199 3.146
119 H372 H 2H37 N N N 0 1.605 7.371 4.856
120 H44 H H44 N N N 0 4.732 9.928 3.174
121 H43 H H43 N N N 0 6.677 11.451 3.099
122 H42 H H42 N N N 0 8.806 10.809 4.198
123 H41 H H41 N N N 0 8.991 8.639 5.374
124 HO7 H HO7 N N N 0 6.456 6.821 6.333
125 H7 H H7 N N N 0 -0.416 0.616 5.779
126 H91 H 1H9 N N N 0 1.555 -0.021 7.214
127 H92 H 2H9 N N N 0 1.203 -1.264 5.995
128 H93 H 3H9 N N N 0 2.554 -0.168 5.749
129 H81 H 1H8 N N N 0 0.328 -0.505 3.65
130 H82 H 2H8 N N N 0 1.695 0.631 3.537
131 H1 H H1 N N N 0 0.537 0.575 1.399
132 H35 H H35 N N N 0 -1.739 2.373 1.31
133 H341 H 1H34 N N N 0 -0.115 4.04 1.272
134 H342 H 2H34 N N N 0 -0.7 3.887 -0.378
135 H331 H 1H33 N N N 0 1.941 2.752 0.696
136 H332 H 2H33 N N N 0 1.747 4.266 -0.165
137 H321 H 1H32 N N N 0 0.934 3.083 -2.185
138 H322 H 2H32 N N N 0 2.559 2.611 -1.693
139 H311 H 1H31 N N N 0 1.483 0.586 -2.269
140 H312 H 2H31 N N N 0 1.531 0.586 -0.499
141 H281 H 1H28 N N N 0 -3.955 1.653 -5.143
142 H282 H 2H28 N N N 0 -4.641 2.907 -4.102
143 H283 H 3H28 N N N 0 -3.038 3.13 -4.815
144 H291 H 1H29 N N N 0 -3.689 0.22 -1.641
145 H292 H 2H29 N N N 0 -4.339 -0.075 -3.26
146 H293 H 3H29 N N N 0 -5.021 1.209 -2.254
147 H301 H 1H30 N N N 0 -2.087 3.561 -2.449
148 H302 H 2H30 N N N 0 -3.707 3.329 -1.781
149 H303 H 3H30 N N N 0 -2.352 2.378 -1.161
150 H48 H H48 N N N 0 2.942 1.926 -5.588
151 H49 H H49 N N N 0 2.459 4.345 -5.846
152 H50 H H50 N N N 0 0.265 5.255 -5.132
153 H51 H H51 N N N 0 -1.441 3.772 -4.169
154 H52 H H52 N N N 0 1.255 0.418 -4.629
155 H53 H H53 N N N 0 -2.447 1.143 -6.41
156 H54 H H54 N N N 0 -2.818 -0.468 -8.229
157 H55 H H55 N N N 0 -2.382 -2.884 -7.871
158 H56 H H56 N N N 0 -1.57 -3.686 -5.668
159 H57 H H57 N N N 0 -1.191 -2.098 -3.832