Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : B79

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 77


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N N N1 N N N 0 0.321 -2.218 0.888
2 C C C1 N N N 0 -4.902 -4.579 -1.747
3 O O O1 N N N 0 -4.779 -3.49 -0.831
4 C1 C C2 N Y N 0 -3.524 -3.177 -0.408
5 C10 C C3 S N N 0 4.363 -0.005 -0.719
6 C11 C C4 N N N 0 4.116 1.364 -1.356
7 C12 C C5 N N N 0 4.234 2.567 -3.453
8 C13 C C6 N N N 0 6.153 1.319 -2.664
9 C14 C C7 S N N 0 3.159 -0.98 -0.818
10 C15 C C8 R N N 0 3.752 -1.489 0.479
11 C16 C C9 N N N 0 2.802 -1.748 1.688
12 C17 C C10 N Y N 0 1.809 -0.325 -0.674
13 C18 C C11 N Y N 0 1.728 1.022 -0.369
14 C19 C C12 N Y N 0 0.496 1.629 -0.235
15 C2 C C13 N Y N 0 -3.321 -2.064 0.394
16 C20 C C14 N Y N 0 -0.67 0.879 -0.408
17 C21 C C15 N Y N 0 -0.58 -0.481 -0.716
18 C22 C C16 N Y N 0 0.659 -1.072 -0.852
19 C23 C C17 N N N 0 -1.953 1.502 -0.27
20 C24 C C18 N N N 0 -3.004 2.013 -0.157
21 C25 C C19 N Y N 0 -4.286 2.635 -0.019
22 C26 C C20 N Y N 0 -5.453 1.886 -0.192
23 C27 C C21 N Y N 0 -6.684 2.492 -0.058
24 C28 C C22 N Y N 0 -6.766 3.839 0.248
25 C29 C C23 N Y N 0 -5.615 4.588 0.421
26 C3 C C24 N Y N 0 -2.047 -1.746 0.823
27 C30 C C25 N Y N 0 -4.377 3.994 0.295
28 C31 C C26 N Y N 0 -1.177 -3.658 -0.345
29 C32 C C27 N Y N 0 -2.451 -3.975 -0.774
30 C4 C C28 N Y N 0 -0.971 -2.541 0.453
31 C5 C C29 N N N 0 0.606 -0.961 1.28
32 C6 C C30 N N N 0 2.078 0.774 1.955
33 C7 C C31 N N N 0 3.059 1.003 3.112
34 C8 C C32 N N N 0 4.481 1.339 2.577
35 C9 C C33 N N N 0 5.022 0.15 1.746
36 N1 N N2 N N N 0 1.862 -0.638 1.65
37 N2 N N3 N N N 0 4.097 -0.052 0.69
38 N3 N N4 N N N 0 4.686 1.384 -2.71
39 O1 O O2 N N N 0 -0.269 -0.117 1.3
40 H1 H H1 N N N 0 1.01 -2.901 0.911
41 H2 H H2 N N N 0 -5.939 -4.667 -2.07
42 H3 H H3 N N N 0 -4.265 -4.399 -2.614
43 H4 H H4 N N N 0 -4.594 -5.503 -1.257
44 H5 H H5 N N N 0 5.317 -0.447 -1.006
45 H6 H H6 N N N 0 3.044 1.551 -1.41
46 H7 H H7 N N N 0 4.59 2.137 -0.751
47 H8 H H8 N N N 0 4.671 2.557 -4.452
48 H9 H H9 N N N 0 3.147 2.554 -3.532
49 H10 H H10 N N N 0 4.55 3.469 -2.928
50 H11 H H11 N N N 0 6.536 2.159 -2.086
51 H12 H H12 N N N 0 6.461 0.384 -2.195
52 H13 H H13 N N N 0 6.55 1.365 -3.678
53 H14 H H14 N N N 0 3.214 -1.685 -1.648
54 H15 H H15 N N N 0 4.578 -2.195 0.382
55 H16 H H16 N N N 0 2.279 -2.696 1.565
56 H17 H H17 N N N 0 3.364 -1.74 2.623
57 H18 H H18 N N N 0 2.63 1.6 -0.235
58 H19 H H19 N N N 0 0.434 2.68 0.004
59 H20 H H20 N N N 0 -4.158 -1.446 0.682
60 H21 H H21 N N N 0 -1.477 -1.066 -0.851
61 H22 H H22 N N N 0 0.73 -2.123 -1.09
62 H23 H H23 N N N 0 -5.39 0.835 -0.431
63 H24 H H24 N N N 0 -7.587 1.915 -0.192
64 H25 H H25 N N N 0 -7.733 4.31 0.347
65 H26 H H26 N N N 0 -5.686 5.639 0.659
66 H27 H H27 N N N 0 -1.889 -0.879 1.447
67 H28 H H28 N N N 0 -3.479 4.579 0.431
68 H29 H H29 N N N 0 -0.341 -4.28 -0.63
69 H30 H H30 N N N 0 -2.611 -4.845 -1.395
70 H31 H H31 N N N 0 1.121 1.227 2.213
71 H32 H H32 N N N 0 2.469 1.268 1.065
72 H33 H H33 N N N 0 2.702 1.831 3.725
73 H34 H H34 N N N 0 4.434 2.224 1.944
74 H35 H H35 N N N 0 6.01 0.391 1.354
75 H36 H H36 N N N 0 5.079 -0.743 2.37
76 H39 H H39 N N N 0 3.11 0.102 3.722
77 H40 H H40 N N N 0 5.153 1.521 3.415