Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : JU1

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 184


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 S N N 0 6.068 -4.095 1.344
2 C2 C C2 N N N 0 2.529 -5.139 0.805
3 C3 C C3 R N N 0 3.856 -4.447 0.488
4 C4 C C4 R N N 0 4.402 -4.976 -0.841
5 C5 C C5 R N N 0 5.759 -4.324 -1.122
6 C6 C C6 R N N 0 6.704 -4.609 0.05
7 CBT C C7 N N N 0 15.246 16.23 -2.188
8 CBS C C8 N N N 0 15.3 14.701 -2.225
9 CBR C C9 N N N 0 14.005 14.131 -1.643
10 CBQ C C10 N N N 0 14.059 12.602 -1.68
11 CBP C C11 N N N 0 12.764 12.032 -1.098
12 CBO C C12 N N N 0 12.817 10.503 -1.135
13 CBN C C13 N N N 0 11.522 9.933 -0.553
14 CBM C C14 N N N 0 11.576 8.405 -0.59
15 CBL C C15 N N N 0 10.281 7.834 -0.007
16 CBK C C16 N N N 0 10.335 6.306 -0.044
17 CBJ C C17 N N N 0 9.04 5.736 0.538
18 CBI C C18 N N N 0 9.094 4.207 0.501
19 CBH C C19 N N N 0 7.799 3.637 1.083
20 CBG C C20 N N N 0 7.853 2.108 1.046
21 CAQ C C21 R N N 0 6.558 1.538 1.628
22 OAR O O1 N N N 0 5.459 1.898 0.789
23 CAP C C22 S N N 0 6.662 0.014 1.707
24 OAS O O2 N N N 0 7.761 -0.346 2.546
25 CAN C C23 S N N 0 5.367 -0.557 2.289
26 CAM C C24 N N N 0 5.521 -2.065 2.495
27 O1 O O3 N N N 0 5.897 -2.678 1.261
28 O5 O O4 N N N 0 7.95 -3.945 -0.168
29 O3 O O5 N N N 0 6.311 -4.866 -2.324
30 O2 O O6 N N N 0 4.796 -4.718 1.53
31 O6 O O7 N N N 0 1.962 -4.564 1.985
32 O4 O O8 N N N 0 4.562 -6.394 -0.761
33 CAT C C25 N N N 0 4.4 -7.069 -2.011
34 CAU C C26 N Y N 0 4.589 -8.55 -1.81
35 CAV C C27 N Y N 0 3.503 -9.349 -1.502
36 CAW C C28 N Y N 0 3.676 -10.708 -1.317
37 CAX C C29 N Y N 0 4.934 -11.268 -1.441
38 CBA C C30 N N N 0 5.122 -12.75 -1.239
39 CBD C C31 N N N 0 6.597 -13.107 -1.431
40 CBB C C32 N N N 0 4.685 -13.131 0.177
41 CBC C C33 N N N 0 4.275 -13.515 -2.258
42 CAY C C34 N Y N 0 6.019 -10.469 -1.749
43 CAZ C C35 N Y N 0 5.845 -9.111 -1.939
44 NAO N N1 N N N 0 4.261 -0.301 1.362
45 CBE C C36 N N N 0 2.997 -0.237 1.824
46 OBF O O9 N N N 0 2.774 -0.39 3.007
47 CBU C C37 N N N 0 1.859 0.026 0.871
48 CBV C C38 N N N 0 0.54 0.05 1.646
49 CBW C C39 N N N 0 -0.615 0.316 0.679
50 CBX C C40 N N N 0 -1.934 0.34 1.454
51 CBY C C41 N N N 0 -3.089 0.607 0.486
52 CBZ C C42 N N N 0 -4.408 0.63 1.261
53 CCA C C43 N N N 0 -5.563 0.897 0.294
54 CCB C C44 N N N 0 -6.883 0.92 1.068
55 CCC C C45 N N N 0 -8.037 1.187 0.101
56 CCD C C46 N N N 0 -9.357 1.21 0.876
57 CCE C C47 N N N 0 -10.512 1.477 -0.092
58 CCF C C48 N N N 0 -11.831 1.5 0.683
59 CCG C C49 N N N 0 -12.986 1.767 -0.284
60 CCH C C50 N N N 0 -14.305 1.791 0.49
61 CCI C C51 N N N 0 -15.46 2.057 -0.477
62 CCJ C C52 N N N 0 -16.779 2.081 0.298
63 CCK C C53 N N N 0 -17.934 2.348 -0.669
64 CCL C C54 N N N 0 -19.253 2.371 0.105
65 CCM C C55 N N N 0 -20.408 2.638 -0.862
66 CCN C C56 N N N 0 -21.727 2.661 -0.087
67 CCO C C57 N N N 0 -22.882 2.928 -1.055
68 CCP C C58 N N N 0 -24.201 2.951 -0.28
69 CCQ C C59 N N N 0 -25.356 3.218 -1.247
70 CCR C C60 N N N 0 -26.675 3.241 -0.473
71 CCS C C61 N N N 0 -27.83 3.508 -1.44
72 H1 H H1 N N N 0 6.716 -4.333 2.187
73 H2 H H2 N N N 0 1.841 -5.007 -0.03
74 H3 H H3 N N N 0 2.703 -6.203 0.967
75 H4 H H4 N N N 0 3.696 -3.372 0.413
76 H5 H H5 N N N 0 3.707 -4.733 -1.644
77 H6 H H6 N N N 0 5.63 -3.247 -1.232
78 H7 H H7 N N N 0 6.872 -5.684 0.129
79 H8 H H8 N N N 0 15.133 16.564 -1.157
80 H9 H H9 N N N 0 16.168 16.636 -2.603
81 H10 H H10 N N N 0 14.398 16.578 -2.778
82 H11 H H11 N N N 0 15.413 14.366 -3.256
83 H12 H H12 N N N 0 16.147 14.353 -1.635
84 H13 H H13 N N N 0 13.892 14.465 -0.612
85 H14 H H14 N N N 0 13.157 14.479 -2.233
86 H15 H H15 N N N 0 14.172 12.267 -2.711
87 H16 H H16 N N N 0 14.906 12.254 -1.09
88 H17 H H17 N N N 0 12.65 12.367 -0.067
89 H18 H H18 N N N 0 11.916 12.38 -1.688
90 H19 H H19 N N N 0 12.931 10.169 -2.166
91 H20 H H20 N N N 0 13.665 10.155 -0.545
92 H21 H H21 N N N 0 11.409 10.268 0.479
93 H22 H H22 N N N 0 10.675 10.281 -1.143
94 H23 H H23 N N N 0 11.689 8.07 -1.621
95 H24 H H24 N N N 0 12.424 8.057 0.001
96 H25 H H25 N N N 0 10.168 8.169 1.024
97 H26 H H26 N N N 0 9.434 8.182 -0.597
98 H27 H H27 N N N 0 10.448 5.971 -1.076
99 H28 H H28 N N N 0 11.183 5.958 0.546
100 H29 H H29 N N N 0 8.927 6.07 1.569
101 H30 H H30 N N N 0 8.192 6.084 -0.052
102 H31 H H31 N N N 0 9.207 3.872 -0.53
103 H32 H H32 N N N 0 9.942 3.859 1.091
104 H33 H H33 N N N 0 7.686 3.972 2.114
105 H37 H H37 N N N 0 6.4 1.943 2.628
106 H34 H H34 N N N 0 6.951 3.985 0.493
107 H35 H H35 N N N 0 7.966 1.774 0.015
108 H36 H H36 N N N 0 8.701 1.76 1.636
109 H38 H H38 N N N 0 5.533 1.57 -0.118
110 H39 H H39 N N N 0 6.82 -0.392 0.707
111 H40 H H40 N N N 0 7.725 0.044 3.43
112 H41 H H41 N N N 0 5.157 -0.078 3.246
113 H42 H H42 N N N 0 6.291 -2.252 3.243
114 H43 H H43 N N N 0 4.574 -2.484 2.836
115 H44 H H44 N N N 0 8.597 -4.082 0.537
116 H45 H H45 N N N 0 7.175 -4.502 -2.559
117 H46 H H46 N N N 0 1.117 -4.956 2.246
118 H47 H H47 N N N 0 3.4 -6.879 -2.399
119 H48 H H48 N N N 0 5.142 -6.701 -2.72
120 H49 H H49 N N N 0 2.521 -8.912 -1.405
121 H50 H H50 N N N 0 2.828 -11.333 -1.076
122 H51 H H51 N N N 0 6.909 -12.835 -2.439
123 H52 H H52 N N N 0 7.201 -12.562 -0.705
124 H53 H H53 N N N 0 6.734 -14.179 -1.285
125 H54 H H54 N N N 0 4.821 -14.203 0.323
126 H55 H H55 N N N 0 5.288 -12.586 0.903
127 H56 H H56 N N N 0 3.634 -12.877 0.314
128 H57 H H57 N N N 0 3.224 -13.26 -2.121
129 H58 H H58 N N N 0 4.587 -13.243 -3.266
130 H59 H H59 N N N 0 4.412 -14.587 -2.112
131 H60 H H60 N N N 0 7.002 -10.907 -1.846
132 H61 H H61 N N N 0 6.693 -8.487 -2.181
133 H62 H H62 N N N 0 4.439 -0.178 0.417
134 H63 H H63 N N N 0 2.01 0.988 0.382
135 H64 H H64 N N N 0 1.825 -0.762 0.12
136 H65 H H65 N N N 0 0.389 -0.913 2.136
137 H66 H H66 N N N 0 0.574 0.838 2.398
138 H67 H H67 N N N 0 -0.464 1.279 0.189
139 H68 H H68 N N N 0 -0.649 -0.472 -0.073
140 H69 H H69 N N N 0 -2.085 -0.622 1.943
141 H70 H H70 N N N 0 -1.9 1.128 2.205
142 H71 H H71 N N N 0 -2.938 1.569 -0.003
143 H72 H H72 N N N 0 -3.123 -0.182 -0.266
144 H73 H H73 N N N 0 -4.559 -0.332 1.75
145 H74 H H74 N N N 0 -4.374 1.419 2.013
146 H75 H H75 N N N 0 -5.412 1.859 -0.196
147 H76 H H76 N N N 0 -5.597 0.108 -0.458
148 H77 H H77 N N N 0 -7.033 -0.042 1.558
149 H78 H H78 N N N 0 -6.848 1.709 1.82
150 H79 H H79 N N N 0 -7.886 2.149 -0.389
151 H80 H H80 N N N 0 -8.071 0.398 -0.651
152 H81 H H81 N N N 0 -9.507 0.248 1.365
153 H82 H H82 N N N 0 -9.323 1.999 1.627
154 H83 H H83 N N N 0 -10.361 2.439 -0.581
155 H84 H H84 N N N 0 -10.545 0.688 -0.843
156 H85 H H85 N N N 0 -11.982 0.538 1.173
157 H86 H H86 N N N 0 -11.797 2.289 1.435
158 H87 H H87 N N N 0 -12.835 2.729 -0.774
159 H88 H H88 N N N 0 -13.02 0.979 -1.036
160 H89 H H89 N N N 0 -14.456 0.828 0.98
161 H90 H H90 N N N 0 -14.271 2.579 1.242
162 H91 H H91 N N N 0 -15.309 3.02 -0.966
163 H92 H H92 N N N 0 -15.494 1.269 -1.229
164 H93 H H93 N N N 0 -16.93 1.119 0.787
165 H94 H H94 N N N 0 -16.745 2.869 1.049
166 H95 H H95 N N N 0 -17.783 3.31 -1.159
167 H96 H H96 N N N 0 -17.968 1.559 -1.421
168 H97 H H97 N N N 0 -19.404 1.409 0.595
169 H98 H H98 N N N 0 -19.219 3.16 0.857
170 H99 H H99 N N N 0 -20.257 3.6 -1.352
171 H100 H H100 N N N 0 -20.442 1.849 -1.614
172 H101 H H101 N N N 0 -21.878 1.699 0.402
173 H102 H H102 N N N 0 -21.693 3.45 0.664
174 H103 H H103 N N N 0 -22.731 3.89 -1.544
175 H104 H H104 N N N 0 -22.916 2.139 -1.806
176 H105 H H105 N N N 0 -24.352 1.989 0.209
177 H106 H H106 N N N 0 -24.167 3.74 0.472
178 H107 H H107 N N N 0 -25.205 4.18 -1.737
179 H108 H H108 N N N 0 -25.39 2.429 -1.999
180 H109 H H109 N N N 0 -26.826 2.279 0.017
181 H110 H H110 N N N 0 -26.641 4.03 0.279
182 H111 H H111 N N N 0 -28.77 3.525 -0.888
183 H112 H H112 N N N 0 -27.679 4.47 -1.929
184 H113 H H113 N N N 0 -27.864 2.72 -2.192