Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : 1BI

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 74


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N Y N 0 1.759 0.63 0.424
2 C10 C C10 N N N 0 -2.807 3.336 -0.102
3 C11 C C11 N N N 0 -2.66 3.907 1.309
4 C12 C C12 N N N 0 -3.347 5.272 1.382
5 C13 C C13 N N N 0 -2.696 6.225 0.377
6 C14 C C14 N N N 0 -2.843 5.654 -1.035
7 C15 C C15 N N N 0 -2.156 4.289 -1.108
8 C16 C C16 N Y N 0 -4.158 0.638 -0.812
9 C17 C C17 N Y N 0 -4.727 -0.157 -1.908
10 C18 C C18 N Y N 0 -6.059 -0.021 -1.812
11 C2 C C2 N Y N 0 0.693 -0.197 0.07
12 C20 C C20 N Y N 0 -5.222 1.176 -0.156
13 C21 C C21 N N N 0 3.102 0.053 0.62
14 C24 C C24 N N N 0 -2.049 -1.609 -0.727
15 C25 C C25 N N N 0 -2.425 -2.312 0.552
16 C28 C C28 N N N 0 -3.078 -4.337 1.775
17 C29 C C29 N N N 0 -4.369 -5.122 1.515
18 C3 C C3 N Y N 0 -0.568 0.349 -0.107
19 C31 C C31 N N N 0 -3.969 -5.184 -0.851
20 C32 C C32 N N N 0 -2.663 -4.401 -0.713
21 C39 C C39 N Y N 0 6.175 -0.422 -0.377
22 C4 C C4 N Y N 0 -0.761 1.734 0.072
23 C40 C C40 N Y N 0 6.877 0.395 -1.244
24 C41 C C41 N Y N 0 7.295 -0.093 -2.468
25 C42 C C42 N Y N 0 7.011 -1.398 -2.825
26 C43 C C43 N Y N 0 6.308 -2.215 -1.959
27 C44 C C44 N Y N 0 5.896 -1.728 -0.732
28 C5 C C5 N Y N 0 0.322 2.551 0.427
29 C6 C C6 N Y N 0 1.558 2.007 0.6
30 C8 C C8 N Y N 0 -2.727 0.812 -0.485
31 C9 C C9 N Y N 0 -2.131 1.992 -0.174
32 H1 H H1 N N N 0 0.85 -1.256 -0.065
33 H10 H H10 N N N 0 -1.638 6.337 0.615
34 H11 H H11 N N N 0 -3.901 5.542 -1.273
35 H12 H H12 N N N 0 -2.379 6.332 -1.751
36 H13 H H13 N N N 0 -1.098 4.401 -0.869
37 H14 H H14 N N N 0 -2.261 3.882 -2.114
38 H15 H H15 N N N 0 -4.184 -0.735 -2.641
39 H16 H H16 N N N 0 -6.785 -0.477 -2.469
40 H17 H H17 N N N 0 -5.171 1.818 0.711
41 H18 H H18 N N N 0 3.994 1.801 1.079
42 H19 H H19 N N N 0 -2.867 -1.696 -1.442
43 H2 H H2 N N N 0 0.176 3.612 0.564
44 H20 H H20 N N N 0 -1.152 -2.067 -1.143
45 H21 H H21 N N N 0 -2.28 -5.025 2.057
46 H22 H H22 N N N 0 -3.241 -3.617 2.576
47 H23 H H23 N N N 0 -4.585 -5.761 2.371
48 H24 H H24 N N N 0 -5.194 -4.426 1.363
49 H25 H H25 N N N 0 -3.897 -5.866 -1.699
50 H26 H H26 N N N 0 -4.795 -4.491 -1.009
51 H27 H H27 N N N 0 -2.55 -3.724 -1.56
52 H28 H H28 N N N 0 -1.822 -5.094 -0.681
53 H29 H H29 N N N 0 7.099 1.414 -0.965
54 H3 H H3 N N N 0 2.389 2.64 0.874
55 H30 H H30 N N N 0 7.843 0.545 -3.145
56 H31 H H31 N N N 0 7.337 -1.78 -3.782
57 H32 H H32 N N N 0 6.086 -3.234 -2.238
58 H33 H H33 N N N 0 5.347 -2.366 -0.055
59 H4 H H4 N N N 0 -3.865 3.224 -0.341
60 H5 H H5 N N N 0 -3.124 3.229 2.026
61 H6 H H6 N N N 0 -1.602 4.019 1.548
62 H7 H H7 N N N 0 -4.405 5.16 1.144
63 H8 H H8 N N N 0 -3.242 5.679 2.388
64 H9 H H9 N N N 0 -3.185 7.197 0.428
65 N23 N N23 N N N 0 4.134 0.849 0.962
66 N27 N N27 N N N 0 -2.708 -3.629 0.539
67 N7 N N7 N Y N 0 -1.791 -0.194 -0.449
68 O19 O O19 N Y N 0 -6.344 0.776 -0.771
69 O22 O O22 N N N 0 3.278 -1.142 0.473
70 O26 O O26 N N N 0 -2.473 -1.692 1.594
71 O30 O O30 N N N 0 -4.202 -5.93 0.347
72 O37 O O37 N N N 0 6.503 1.286 1.497
73 O38 O O38 N N N 0 5.474 -0.928 2.029
74 S36 S S36 N N N 0 5.642 0.201 1.182