Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BWQ

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 79


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C01 C C1 N N N 0 0.499 1.103 3.471
2 C02 C C2 N N N 0 -0.142 0.294 2.341
3 C03 C C3 N N N 0 0.743 0.37 1.095
4 C04 C C4 N N N 0 -0.286 -1.165 2.776
5 C05 C C5 S N N 0 -0.52 -2.043 1.545
6 C06 C C6 N Y N 0 -1.596 -1.433 0.675
7 C08 C C7 N Y N 0 -3.52 -0.497 0.019
8 C09 C C8 N Y N 0 -4.789 0.068 -0.089
9 C10 C C9 N Y N 0 -5.197 0.455 -1.358
10 C12 C C10 N N N 0 -7.275 1.039 -0.361
11 C13 C C11 N N N 0 -8.757 1.12 -0.784
12 C14 C C12 N N N 0 -9.453 2.045 0.229
13 C15 C C13 N N N 0 -8.371 2.494 1.232
14 C16 C C14 N N N 0 -7.039 2.334 0.455
15 C17 C C15 N Y N 0 -4.389 0.293 -2.477
16 C18 C C16 N Y N 0 -3.135 -0.26 -2.395
17 C19 C C17 N Y N 0 -2.7 -0.657 -1.127
18 C20 C C18 N Y N 0 -1.468 -1.261 -0.658
19 C21 C C19 N N N 0 -0.248 -1.637 -1.458
20 C22 C C20 S N N 0 0.606 -2.612 -0.635
21 C23 C C21 N N N 0 1.944 -2.775 -1.281
22 C26 C C22 S N N 0 3.197 -1.817 0.603
23 C27 C C23 N N N 0 3.786 -0.411 0.47
24 C28 C C24 N N N 0 5.221 -0.506 -0.049
25 C29 C C25 N N N 0 5.801 0.879 -0.181
26 C32 C C26 N N N 0 7.551 2.403 -0.723
27 C33 C C27 N N N 0 8.991 2.388 -1.24
28 C34 C C28 N N N 0 7.511 3.064 0.656
29 C35 C C29 N N N 0 6.67 3.193 -1.693
30 C36 C C30 N N N 0 1.869 -1.725 1.281
31 N07 N N1 N Y N 0 -2.821 -0.977 1.089
32 N25 N N2 N N N 0 3.095 -2.413 -0.718
33 N38 N N3 N N N 0 0.715 -2.115 0.736
34 O11 O O1 N N N 0 -6.428 1.011 -1.512
35 O24 O O2 N N N 0 1.983 -3.269 -2.388
36 O30 O O3 N N N 0 5.134 1.843 0.111
37 O31 O O4 N N N 0 7.058 1.041 -0.622
38 O37 O O5 N N N 0 1.838 -1.266 2.404
39 H1 H H1 N N N 0 0.601 2.143 3.161
40 H2 H H2 N N N 0 -0.132 1.049 4.359
41 H3 H H3 N N N 0 1.483 0.692 3.698
42 H4 H H4 N N N 0 -1.126 0.705 2.113
43 H5 H H5 N N N 0 0.619 1.344 0.621
44 H6 H H6 N N N 0 1.786 0.235 1.381
45 H7 H H7 N N N 0 0.453 -0.414 0.395
46 H8 H H8 N N N 0 0.624 -1.485 3.283
47 H9 H H9 N N N 0 -1.133 -1.26 3.456
48 H10 H H10 N N N 0 -0.818 -3.045 1.856
49 H11 H H11 N N N 0 -5.425 0.198 0.774
50 H12 H H12 N N N 0 -7.103 0.16 0.26
51 H13 H H13 N N N 0 -8.837 1.538 -1.787
52 H14 H H14 N N N 0 -9.208 0.127 -0.756
53 H15 H H15 N N N 0 -9.871 2.912 -0.282
54 H16 H H16 N N N 0 -10.243 1.502 0.749
55 H17 H H17 N N N 0 -8.524 3.535 1.518
56 H18 H H18 N N N 0 -8.376 1.851 2.113
57 H19 H H19 N N N 0 -6.202 2.214 1.143
58 H20 H H20 N N N 0 -6.876 3.183 -0.21
59 H21 H H21 N N N 0 -4.758 0.612 -3.44
60 H22 H H22 N N N 0 -2.514 -0.383 -3.27
61 H23 H H23 N N N 0 -0.555 -2.116 -2.388
62 H24 H H24 N N N 0 0.333 -0.742 -1.681
63 H25 H H25 N N N 0 0.107 -3.58 -0.608
64 H26 H H26 N N N 0 3.865 -2.423 1.215
65 H27 H H27 N N N 0 3.184 0.17 -0.229
66 H28 H H28 N N N 0 3.783 0.078 1.444
67 H29 H H29 N N N 0 5.823 -1.087 0.65
68 H30 H H30 N N N 0 5.224 -0.995 -1.024
69 H31 H H31 N N N 0 9.619 1.825 -0.549
70 H32 H H32 N N N 0 9.019 1.917 -2.222
71 H33 H H33 N N N 0 9.361 3.411 -1.316
72 H34 H H34 N N N 0 7.88 4.087 0.58
73 H35 H H35 N N N 0 6.485 3.075 1.024
74 H36 H H36 N N N 0 8.139 2.501 1.347
75 H37 H H37 N N N 0 7.039 4.216 -1.769
76 H38 H H38 N N N 0 6.698 2.723 -2.675
77 H39 H H39 N N N 0 5.644 3.204 -1.325
78 H40 H H40 N N N 0 -3.143 -0.994 2.004
79 H41 H H41 N N N 0 3.913 -2.556 -1.219