Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A4I

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 160


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C10 C C1 N N N 0 0.056 3.672 -0.994
2 C17 C C2 R N N 0 -1.462 7.05 0.203
3 C20 C C3 S N N 0 -3.93 5.618 0.125
4 C21 C C4 N N N 0 -5.198 5.082 -0.544
5 C22 C C5 S N N 0 -6.416 5.243 0.365
6 C24 C C6 N N N 0 -7.366 4.094 0.09
7 C26 C C7 N N N 0 -8.084 1.788 0.447
8 C28 C C8 N N N 0 -8.64 -0.575 0.793
9 C01 C C9 N N N 0 1.281 0.939 -1.11
10 O02 O O1 N N N 0 1.175 -0.287 -1.654
11 O03 O O2 N N N 0 1.118 1.126 0.071
12 C04 C C10 S N N 0 1.64 2.085 -2.023
13 C05 C C11 N N N 0 3.142 2.042 -2.32
14 C06 C C12 N N N 0 3.588 3.237 -3.149
15 C07 C C13 N N N 0 3.021 4.554 -2.635
16 C08 C C14 N N N 0 2.39 4.365 -1.25
17 N09 N N1 N N N 0 1.305 3.375 -1.402
18 O11 O O3 N N N 0 -0.729 2.779 -0.744
19 C12 C C15 N N N 0 -0.377 5.088 -0.852
20 O13 O O4 N N N 0 0.228 5.931 -1.471
21 C14 C C16 R N N 0 -1.54 5.537 -0.024
22 O15 O O5 N N N 0 -2.785 5.214 -0.641
23 O16 O O6 N N N 0 -1.466 4.892 1.255
24 C18 C C17 N N N 0 -2.692 7.734 -0.392
25 C19 C C18 N N N 0 -3.978 7.145 0.186
26 O23 O O7 N N N 0 -6.023 5.224 1.737
27 C25 C C19 N N N 0 -7.209 2.927 0.706
28 C27 C C20 N N N 0 -7.852 0.629 1.091
29 C29 C C21 N N N 0 -8.32 -1.694 1.429
30 C30 C C22 S N N 0 -8.946 -3.024 1.143
31 C31 C C23 N N N 0 -7.976 -4.154 1.473
32 C32 C C24 R N N 0 -6.781 -4.241 0.532
33 C33 C C25 N N N 0 -6.163 -5.617 0.651
34 O34 O O8 N N N 0 -6.587 -6.39 1.476
35 C35 C C26 R N N 0 -5.027 -6.026 -0.25
36 O36 O O9 N N N 0 -5.471 -7.063 -1.13
37 C37 C C27 R N N 0 -3.854 -6.537 0.589
38 O38 O O10 N N N 0 -3.77 -5.78 1.8
39 C39 C C28 N N N 0 -2.571 -6.363 -0.187
40 C40 C C29 N N N 0 -2.106 -5.163 -0.397
41 C41 C C30 R N N 0 -0.825 -4.871 -1.128
42 C42 C C31 N N N 0 -0.256 -3.57 -0.607
43 O43 O O11 N N N 0 -0.295 -3.346 0.581
44 C44 C C32 N N N 0 0.344 -2.569 -1.553
45 C45 C C33 S N N 0 1.046 -1.44 -0.787
46 C46 C C34 R N N 0 2.436 -1.915 -0.357
47 C47 C C35 N N N 0 3.149 -0.789 0.395
48 C48 C C36 S N N 0 4.576 -1.225 0.731
49 C49 C C37 N N N 0 5.374 -1.4 -0.563
50 C50 C C38 R N N 0 6.802 -1.836 -0.228
51 O51 O O12 N N N 0 7.546 -2.0 -1.436
52 C52 C C39 R N N 0 7.469 -0.769 0.643
53 O53 O O13 N N N 0 8.824 -1.183 0.961
54 C54 C C40 N N N 0 6.672 -0.594 1.937
55 C55 C C41 N N N 0 5.244 -0.158 1.601
56 C56 C C42 N N N 0 -1.364 7.352 1.699
57 C57 C C43 N N N 0 -8.489 4.306 -0.891
58 C58 C C44 N N N 0 -9.424 -3.117 -0.302
59 C59 C C45 N N N 0 -5.72 -3.206 0.915
60 C60 C C46 N N N 0 -1.854 -7.591 -0.692
61 C61 C C47 N N N 0 -1.117 -4.734 -2.625
62 C62 C C48 N N N 0 2.298 -3.133 0.558
63 C63 C C49 N N N 0 -6.866 5.997 2.593
64 C64 C C50 N N N 0 -6.02 -6.586 -2.36
65 C65 C C51 N N N 0 7.481 -3.317 -1.985
66 C66 C C52 N N N 0 9.73 -0.21 1.148
67 O67 O O14 N N N 0 9.402 0.948 1.048
68 C68 C C53 N N N 0 11.157 -0.563 1.482
69 C69 C C54 N N N 0 11.75 -1.41 0.354
70 C70 C C55 N N N 0 11.975 0.719 1.642
71 C71 C C56 N N N 0 11.193 -1.358 2.789
72 O72 O O15 N N N 0 11.716 -0.667 -0.867
73 O73 O O16 N N N 0 13.328 0.384 1.958
74 H1 H H1 N N N 0 -0.568 7.444 -0.29
75 H2 H H2 N N N 0 -3.851 5.203 1.125
76 H3 H H3 N N N 0 -5.372 5.629 -1.473
77 H4 H H4 N N N 0 -5.059 4.026 -0.783
78 H5 H H5 N N N 0 -6.918 6.186 0.138
79 H6 H H6 N N N 0 -8.909 1.845 -0.237
80 H7 H H7 N N N 0 -9.446 -0.518 0.09
81 H8 H H8 N N N 0 1.097 1.988 -2.963
82 H9 H H9 N N N 0 3.688 2.036 -1.375
83 H10 H H10 N N N 0 3.373 1.126 -2.863
84 H11 H H11 N N N 0 4.677 3.296 -3.118
85 H12 H H12 N N N 0 3.273 3.089 -4.181
86 H13 H H13 N N N 0 3.824 5.287 -2.56
87 H14 H H14 N N N 0 2.267 4.919 -3.33
88 H15 H H15 N N N 0 3.141 3.981 -0.557
89 H16 H H16 N N N 0 2.01 5.312 -0.88
90 H17 H H17 N N N 0 -1.493 3.926 1.211
91 H18 H H18 N N N 0 -2.652 8.805 -0.169
92 H19 H H19 N N N 0 -2.688 7.602 -1.476
93 H20 H H20 N N N 0 -4.829 7.501 -0.402
94 H21 H H21 N N N 0 -4.107 7.468 1.218
95 H22 H H22 N N N 0 -6.406 2.808 1.422
96 H23 H H23 N N N 0 -7.084 0.587 1.845
97 H24 H H24 N N N 0 -7.53 -1.642 2.18
98 H25 H H25 N N N 0 -9.826 -3.136 1.799
99 H26 H H26 N N N 0 -7.614 -4.018 2.5
100 H27 H H27 N N N 0 -8.522 -5.105 1.438
101 H28 H H28 N N N 0 -7.076 -4.087 -0.5
102 H32 H H32 N N N 0 -2.676 -4.312 -0.011
103 H29 H H29 N N N 0 -4.699 -5.174 -0.846
104 H30 H H30 N N N 0 -3.995 -7.589 0.826
105 H31 H H31 N N N 0 -3.047 -6.049 2.383
106 H33 H H33 N N N 0 -0.095 -5.662 -0.967
107 H34 H H34 N N N 0 1.073 -3.062 -2.195
108 H35 H H35 N N N 0 -0.448 -2.133 -2.166
109 H36 H H36 N N N 0 0.459 -1.168 0.093
110 H37 H H37 N N N 0 3.016 -2.187 -1.239
111 H38 H H38 N N N 0 3.179 0.103 -0.23
112 H39 H H39 N N N 0 2.61 -0.57 1.316
113 H40 H H40 N N N 0 4.55 -2.171 1.272
114 H41 H H41 N N N 0 4.898 -2.16 -1.183
115 H42 H H42 N N N 0 5.4 -0.454 -1.105
116 H43 H H43 N N N 0 6.775 -2.782 0.314
117 H44 H H44 N N N 0 7.496 0.176 0.101
118 H45 H H45 N N N 0 6.645 -1.54 2.478
119 H46 H H46 N N N 0 7.147 0.166 2.556
120 H47 H H47 N N N 0 5.271 0.787 1.06
121 H48 H H48 N N N 0 4.676 -0.034 2.523
122 H49 H H49 N N N 0 -0.474 6.875 2.108
123 H50 H H50 N N N 0 -1.301 8.43 1.849
124 H51 H H51 N N N 0 -2.249 6.966 2.206
125 H52 H H52 N N N 0 -9.077 3.392 -0.974
126 H53 H H53 N N N 0 -9.126 5.119 -0.543
127 H54 H H54 N N N 0 -8.075 4.561 -1.867
128 H55 H H55 N N N 0 -8.577 -2.983 -0.975
129 H56 H H56 N N N 0 -9.873 -4.095 -0.474
130 H57 H H57 N N N 0 -10.165 -2.34 -0.49
131 H58 H H58 N N N 0 -5.382 -3.392 1.935
132 H59 H H59 N N N 0 -4.874 -3.283 0.232
133 H60 H H60 N N N 0 -6.148 -2.205 0.851
134 H61 H H61 N N N 0 -2.217 -7.839 -1.689
135 H62 H H62 N N N 0 -0.783 -7.395 -0.734
136 H63 H H63 N N N 0 -2.044 -8.427 -0.018
137 H64 H H64 N N N 0 -1.822 -3.919 -2.784
138 H65 H H65 N N N 0 -0.19 -4.523 -3.158
139 H66 H H66 N N N 0 -1.546 -5.664 -2.998
140 H67 H H67 N N N 0 3.279 -3.409 0.946
141 H68 H H68 N N N 0 1.635 -2.89 1.388
142 H69 H H69 N N N 0 1.883 -3.967 -0.007
143 H70 H H70 N N N 0 -6.855 7.038 2.27
144 H74 H H74 N N N 0 -5.265 -6.011 -2.896
145 H71 H H71 N N N 0 -7.885 5.613 2.545
146 H72 H H72 N N N 0 -6.501 5.931 3.618
147 H73 H H73 N N N 0 -6.881 -5.95 -2.152
148 H75 H H75 N N N 0 -6.333 -7.432 -2.971
149 H76 H H76 N N N 0 8.072 -3.359 -2.901
150 H77 H H77 N N N 0 7.878 -4.032 -1.264
151 H78 H H78 N N N 0 6.444 -3.566 -2.211
152 H79 H H79 N N N 0 12.782 -1.665 0.595
153 H80 H H80 N N N 0 11.167 -2.323 0.239
154 H81 H H81 N N N 0 11.95 1.285 0.711
155 H82 H H82 N N N 0 11.553 1.322 2.445
156 H83 H H83 N N N 0 10.61 -2.272 2.674
157 H84 H H84 N N N 0 12.225 -1.613 3.03
158 H85 H H85 N N N 0 10.77 -0.755 3.592
159 H86 H H86 N N N 0 12.077 -1.143 -1.627
160 H87 H H87 N N N 0 13.906 1.151 2.074