Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1BV

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 109


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -7.952 -2.728 2.792
2 C2 C C2 N N N 0 -7.555 -1.291 2.449
3 C3 C C3 N N N 0 -7.282 -2.419 1.452
4 S4 S S4 N N N 0 -5.56 -2.947 1.235
5 O5 O O5 N N N 0 -4.698 -2.192 2.075
6 O6 O O6 N N N 0 -5.476 -4.364 1.183
7 N7 N N7 N N N 0 -5.168 -2.458 -0.298
8 C8 C C8 N N N 0 -5.129 -1.144 -0.597
9 O9 O O9 N N N 0 -5.469 -0.324 0.229
10 C10 C C10 R N N 0 -4.664 -0.697 -1.953
11 C11 C C11 N N N 0 -5.636 -0.803 -3.127
12 C12 C C12 R N N 0 -5.289 0.568 -2.545
13 C13 C C13 N N N 0 -6.353 1.293 -1.722
14 C14 C C14 N N N 0 -6.327 2.787 -2.055
15 N15 N N15 N N N 0 -3.226 -0.891 -2.228
16 C16 C C16 N N N 0 -2.408 -0.865 -1.14
17 O17 O O17 N N N 0 -2.863 -1.037 -0.029
18 C18 C C18 S N N 0 -0.937 -0.623 -1.328
19 C19 C C19 N N N 0 -0.118 -1.855 -0.923
20 C20 C C20 R N N 0 1.097 -1.292 -0.161
21 C21 C C21 N N N 0 0.822 0.207 0.052
22 N22 N N22 N N N 0 -0.526 0.484 -0.451
23 C23 C C23 N N N 0 -1.292 1.55 -0.179
24 O24 O O24 N N N 0 -2.445 1.544 -0.553
25 C25 C C25 S N N 0 -0.787 2.753 0.566
26 C26 C C26 N N N 0 -1.651 3.934 0.181
27 C27 C C27 N N N 0 -2.939 3.885 0.416
28 C28 C C28 N N N 0 -3.859 4.97 -0.073
29 C29 C C29 N N N 0 -5.126 4.349 -0.609
30 C30 C C30 N N N 0 -5.062 3.409 -1.52
31 N31 N N31 N N N 0 0.606 3.017 0.198
32 C32 C C32 N N N 0 1.415 3.677 1.049
33 O33 O O33 N N N 0 0.989 4.055 2.124
34 C34 C C34 N Y N 0 2.82 3.943 0.678
35 N35 N N35 N Y N 0 3.413 3.595 -0.447
36 N36 N N36 N Y N 0 4.637 3.985 -0.438
37 C37 C C37 N Y N 0 4.916 4.623 0.718
38 C38 C C38 N Y N 0 3.783 4.625 1.459
39 C39 C C39 N N N 0 5.593 3.768 -1.527
40 C40 C C40 N N N 0 -8.153 -2.477 0.196
41 O41 O O41 N N N 0 2.285 -1.468 -0.935
42 C42 C C42 N Y N 0 3.46 -1.51 -0.259
43 C43 C C43 N Y N 0 3.503 -1.277 1.091
44 C44 C C44 N Y N 0 4.725 -1.326 1.766
45 N45 N N45 N Y N 0 5.851 -1.592 1.138
46 C46 C C46 N Y N 0 5.876 -1.828 -0.181
47 C47 C C47 N Y N 0 4.673 -1.801 -0.926
48 C48 C C48 N Y N 0 4.7 -2.054 -2.305
49 C49 C C49 N Y N 0 5.883 -2.331 -2.92
50 C50 C C50 N Y N 0 7.075 -2.367 -2.193
51 C51 C C51 N Y N 0 7.083 -2.11 -0.84
52 O52 O O52 N N N 0 4.752 -1.094 3.101
53 C53 C C53 N N N 0 6.026 -1.155 3.745
54 C54 C C54 N N N 0 6.674 0.23 3.726
55 C55 C C55 N N N 0 5.844 -1.613 5.193
56 O56 O O56 N N N 0 8.242 -2.646 -2.83
57 C57 C C57 N N N 0 8.171 -2.89 -4.236
58 C58 C C58 N N N 0 8.377 -2.15 -0.068
59 H1 H H1 N N N 0 -7.359 -3.249 3.543
60 H2 H H2 N N N 0 -9.014 -2.974 2.779
61 H3 H H3 N N N 0 -8.355 -0.591 2.211
62 H4 H H4 N N N 0 -6.7 -0.867 2.976
63 H5 H H5 N N N 0 -4.966 -3.117 -0.98
64 H6 H H6 N N N 0 -5.221 -1.055 -4.103
65 H7 H H7 N N N 0 -6.63 -1.199 -2.922
66 H8 H H8 N N N 0 -4.636 1.215 -3.139
67 H9 H H9 N N N 0 -7.336 0.886 -1.959
68 H10 H H10 N N N 0 -6.148 1.154 -0.66
69 H11 H H11 N N N 0 -6.365 2.918 -3.136
70 H12 H H12 N N N 0 -7.189 3.275 -1.601
71 H13 H H13 N N N 0 -2.886 -1.029 -3.126
72 H14 H H14 N N N 0 -0.729 -0.361 -2.365
73 H15 H H15 N N N 0 -0.706 -2.503 -0.273
74 H16 H H16 N N N 0 0.208 -2.401 -1.808
75 H17 H H17 N N N 0 1.2 -1.794 0.801
76 H18 H H18 N N N 0 0.877 0.446 1.114
77 H19 H H19 N N N 0 1.552 0.799 -0.5
78 H20 H H20 N N N 0 -0.858 2.578 1.64
79 H21 H H21 N N N 0 -1.206 4.801 -0.275
80 H22 H H22 N N N 0 -3.349 3.028 0.935
81 H23 H H23 N N N 0 -4.103 5.639 0.753
82 H24 H H24 N N N 0 -3.367 5.535 -0.865
83 H25 H H25 N N N 0 -6.085 4.679 -0.24
84 H26 H H26 N N N 0 -4.101 3.083 -1.89
85 H27 H H27 N N N 0 0.946 2.716 -0.659
86 H28 H H28 N N N 0 5.865 5.056 0.998
87 H29 H H29 N N N 0 3.643 5.055 2.44
88 H30 H H30 N N N 0 5.549 4.607 -2.222
89 H31 H H31 N N N 0 6.599 3.688 -1.117
90 H32 H H32 N N N 0 5.341 2.847 -2.053
91 H33 H H33 N N N 0 -8.967 -1.757 0.284
92 H37 H H37 N N N 0 3.785 -2.03 -2.877
93 H34 H H34 N N N 0 -7.548 -2.236 -0.678
94 H35 H H35 N N N 0 -8.566 -3.48 0.086
95 H36 H H36 N N N 0 2.595 -1.056 1.632
96 H38 H H38 N N N 0 5.899 -2.526 -3.982
97 H39 H H39 N N N 0 6.666 -1.863 3.217
98 H40 H H40 N N N 0 7.646 0.184 4.216
99 H41 H H41 N N N 0 6.804 0.557 2.694
100 H42 H H42 N N N 0 6.035 0.938 4.253
101 H43 H H43 N N N 0 5.382 -2.6 5.207
102 H44 H H44 N N N 0 6.816 -1.66 5.684
103 H45 H H45 N N N 0 5.205 -0.905 5.721
104 H46 H H46 N N N 0 7.523 -3.746 -4.424
105 H47 H H47 N N N 0 7.766 -2.011 -4.738
106 H48 H H48 N N N 0 9.17 -3.1 -4.619
107 H49 H H49 N N N 0 8.551 -3.163 0.296
108 H50 H H50 N N N 0 9.198 -1.851 -0.719
109 H51 H H51 N N N 0 8.316 -1.466 0.779