Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BJR

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 137


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 O6 O O1 N N N 0 0.979 -2.018 -2.178
2 C4 C C1 R N N 0 0.234 -3.12 -2.762
3 C3 C C2 N N N 0 -0.047 -4.172 -1.687
4 O4 O O2 N N N 0 -0.889 -3.61 -0.679
5 P1 P P1 N N N 0 -1.292 -4.397 0.666
6 O1 O O3 N N N 0 -2.347 -3.519 1.507
7 C2 C C3 N N N 0 -2.974 -3.989 2.702
8 C1 C C4 N N N 0 -4.005 -2.962 3.175
9 N1 N N1 N N N 1 -4.566 -3.389 4.464
10 C1C C C5 N N N 0 -5.106 -4.749 4.335
11 C1B C C6 N N N 0 -3.511 -3.375 5.486
12 C1A C C7 N N N 0 -5.642 -2.47 4.858
13 O2 O O4 N N N 0 -1.904 -5.698 0.312
14 C5 C C8 N N N 0 -1.09 -2.599 -3.324
15 O8 O O5 N N N 0 -1.908 -2.086 -2.239
16 C24 C C9 N N N 0 -3.148 -1.677 -2.552
17 O9 O O6 N N N 0 -3.569 -1.83 -3.674
18 C25 C C10 N N N 0 -4.014 -1.028 -1.503
19 C26 C C11 N N N 0 -5.314 -0.542 -2.145
20 C27 C C12 N N N 0 -6.194 0.117 -1.081
21 C28 C C13 N N N 0 -7.494 0.604 -1.723
22 C29 C C14 N N N 0 -8.374 1.263 -0.658
23 C30 C C15 N N N 0 -9.674 1.749 -1.301
24 C31 C C16 N N N 0 -10.554 2.408 -0.236
25 C32 C C17 N N N 0 -11.854 2.894 -0.878
26 C33 C C18 N N N 0 -12.733 3.553 0.186
27 C34 C C19 N N N 0 -14.034 4.04 -0.456
28 C35 C C20 N N N 0 -14.913 4.699 0.609
29 C36 C C21 N N N 0 -16.214 5.185 -0.034
30 C37 C C22 N N N 0 -17.093 5.844 1.031
31 C38 C C23 N N N 0 -18.394 6.331 0.389
32 C39 C C24 N N N 0 -19.273 6.99 1.454
33 O3 O O7 N N N 0 0.026 -4.649 1.556
34 H2 H H2 N N N 0 0.819 -3.568 -3.565
35 H3 H H3 N N N 0 -0.544 -5.03 -2.139
36 H4 H H4 N N N 0 0.893 -4.492 -1.238
37 H5 H H5 N N N 0 -3.472 -4.938 2.502
38 H6 H H6 N N N 0 -2.22 -4.13 3.476
39 H7 H H7 N N N 0 -3.523 -1.991 3.293
40 H8 H H8 N N N 0 -4.805 -2.884 2.438
41 H9 H H9 N N N 0 -5.622 -5.024 5.256
42 H10 H H10 N N N 0 -5.807 -4.785 3.501
43 H11 H H11 N N N 0 -4.29 -5.449 4.155
44 H12 H H12 N N N 0 -3.928 -3.692 6.442
45 H13 H H13 N N N 0 -2.713 -4.057 5.193
46 H14 H H14 N N N 0 -3.111 -2.366 5.581
47 H15 H H15 N N N 0 -5.242 -1.461 4.953
48 H16 H H16 N N N 0 -6.425 -2.481 4.099
49 H17 H H17 N N N 0 -6.059 -2.787 5.814
50 H18 H H18 N N N 0 -0.892 -1.8 -4.039
51 H19 H H19 N N N 0 -1.617 -3.412 -3.824
52 H22 H H22 N N N 0 -4.243 -1.753 -0.722
53 H23 H H23 N N N 0 -3.484 -0.181 -1.068
54 H24 H H24 N N N 0 -5.085 0.183 -2.927
55 H25 H H25 N N N 0 -5.844 -1.389 -2.58
56 H26 H H26 N N N 0 -6.423 -0.608 -0.3
57 H27 H H27 N N N 0 -5.664 0.965 -0.646
58 H28 H H28 N N N 0 -7.265 1.328 -2.504
59 H29 H H29 N N N 0 -8.024 -0.244 -2.158
60 H30 H H30 N N N 0 -8.603 0.538 0.123
61 H31 H H31 N N N 0 -7.844 2.11 -0.223
62 H32 H H32 N N N 0 -9.445 2.474 -2.082
63 H33 H H33 N N N 0 -10.204 0.901 -1.736
64 H34 H H34 N N N 0 -10.783 1.683 0.545
65 H35 H H35 N N N 0 -10.024 3.256 0.199
66 H36 H H36 N N N 0 -11.625 3.619 -1.659
67 H37 H H37 N N N 0 -12.384 2.047 -1.313
68 H38 H H38 N N N 0 -12.963 2.829 0.968
69 H39 H H39 N N N 0 -12.204 4.401 0.621
70 H40 H H40 N N N 0 -13.805 4.765 -1.237
71 H41 H H41 N N N 0 -14.564 3.192 -0.891
72 H42 H H42 N N N 0 -15.143 3.974 1.39
73 H43 H H43 N N N 0 -14.384 5.546 1.044
74 H44 H H44 N N N 0 -15.985 5.91 -0.815
75 H45 H H45 N N N 0 -16.744 4.338 -0.468
76 H46 H H46 N N N 0 -17.323 5.119 1.812
77 H47 H H47 N N N 0 -16.564 6.692 1.466
78 H48 H H48 N N N 0 -18.164 7.055 -0.392
79 H49 H H49 N N N 0 -18.924 5.483 -0.046
80 H50 H H50 N N N 0 -18.744 7.837 1.889
81 H51 H H51 N N N 0 -20.2 7.336 0.996
82 H52 H H52 N N N 0 -19.503 6.265 2.235
83 H53 H H53 N N N 0 0.48 -3.838 1.825
84 C6 C C25 N N N 0 2.318 -2.107 -2.204
85 C7 C C26 N N N 0 3.157 -1.001 -1.617
86 C8 C C27 N N N 0 4.639 -1.348 -1.775
87 C9 C C28 N N N 0 5.491 -0.225 -1.179
88 C10 C C29 N N N 0 6.973 -0.572 -1.336
89 C11 C C30 N N N 0 7.826 0.55 -0.74
90 C12 C C31 N N N 0 9.308 0.204 -0.898
91 C13 C C32 N N N 0 10.16 1.326 -0.302
92 C14 C C33 N N N 0 11.642 0.98 -0.46
93 C15 C C34 N N N 0 12.494 2.102 0.137
94 C16 C C35 N N N 0 13.976 1.756 -0.021
95 C17 C C36 N N N 0 14.828 2.878 0.575
96 C18 C C37 N N N 0 16.31 2.532 0.417
97 C19 C C38 N N N 0 17.162 3.654 1.013
98 C20 C C39 N N N 0 18.644 3.307 0.855
99 C21 C C40 N N N 0 19.497 4.43 1.452
100 C22 C C41 N N N 0 20.978 4.083 1.294
101 C23 C C42 N N N 0 21.831 5.206 1.89
102 O5 O O8 N N N 0 2.85 -3.072 -2.698
103 H1 H H1 N N N 0 2.945 -0.068 -2.138
104 H20 H H20 N N N 0 2.921 -0.889 -0.559
105 H21 H H21 N N N 0 4.852 -2.281 -1.253
106 H54 H H54 N N N 0 4.875 -1.46 -2.833
107 H55 H H55 N N N 0 5.279 0.708 -1.7
108 H56 H H56 N N N 0 5.255 -0.113 -0.12
109 H57 H H57 N N N 0 7.186 -1.505 -0.815
110 H58 H H58 N N N 0 7.21 -0.684 -2.394
111 H60 H H60 N N N 0 7.613 1.484 -1.261
112 H59 H H59 N N N 0 7.589 0.663 0.318
113 H62 H H62 N N N 0 9.52 -0.729 -0.377
114 H61 H H61 N N N 0 9.544 0.091 -1.956
115 H64 H H64 N N N 0 9.947 2.26 -0.823
116 H63 H H63 N N N 0 9.924 1.439 0.756
117 H65 H H65 N N N 0 11.854 0.046 0.062
118 H66 H H66 N N N 0 11.878 0.867 -1.518
119 H68 H H68 N N N 0 12.281 3.036 -0.384
120 H67 H H67 N N N 0 12.258 2.215 1.195
121 H70 H H70 N N N 0 14.188 0.822 0.5
122 H69 H H69 N N N 0 14.212 1.643 -1.079
123 H72 H H72 N N N 0 14.616 3.811 0.054
124 H71 H H71 N N N 0 14.592 2.991 1.633
125 H74 H H74 N N N 0 16.522 1.598 0.938
126 H73 H H73 N N N 0 16.546 2.419 -0.641
127 H76 H H76 N N N 0 16.95 4.587 0.492
128 H75 H H75 N N N 0 16.926 3.766 2.071
129 H77 H H77 N N N 0 18.857 2.374 1.377
130 H78 H H78 N N N 0 18.88 3.195 -0.203
131 H80 H H80 N N N 0 19.284 5.363 0.93
132 H79 H H79 N N N 0 19.26 4.542 2.51
133 H81 H H81 N N N 0 21.191 3.15 1.815
134 H82 H H82 N N N 0 21.215 3.971 0.236
135 H84 H H84 N N N 0 22.886 4.959 1.778
136 H83 H H83 N N N 0 21.618 6.139 1.369
137 H85 H H85 N N N 0 21.594 5.318 2.948